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3-(3-Carboxypropyl)adenine

View entire compound with spectra: 1 MS (GC)

3-(3-Carboxypropyl)adenine
SpectraBase Compound ID F5kwXPXoctb
InChI InChI=1S/C9H11N5O2/c10-8-7-9(12-4-11-7)14(5-13-8)3-1-2-6(15)16/h4-5H,1-3,10H2,(H,15,16)
InChIKey TUXZWXUYXQGOBH-UHFFFAOYSA-N
Mol Weight 221.22 g/mol
Molecular Formula C9H11N5O2
Exact Mass 221.091275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERT50jiElqF
Name 3-(3-Carboxypropyl)adenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11N5O2
InChI InChI=1S/C9H11N5O2/c10-8-7-9(12-4-11-7)14(5-13-8)3-1-2-6(15)16/h4-5H,1-3,10H2,(H,15,16)
InChIKey TUXZWXUYXQGOBH-UHFFFAOYSA-N
Molecular Weight 221.220 g/mol
SMILES NC=1N=CN(CCCC(=O)O)C=2C1N=CN2
SPLASH splash10-000k-0910000000-7d2ba48630f07f20c5b6
Source of Spectrum K-113-2048-3b
Synonyms 4-(6-amino-3H-purin-3-yl)butanoic acid
Wiley ID 1792740