CID 20841830

Gamma-l-glutamylputrescine

Structural Information

Molecular Formula

C₉H₁₉N₃O₃

SMILES

C(CCNC(=O)CC[C@@H](C(=O)O)N)CN

InChI

InChI=1S/C9H19N3O3/c10-5-1-2-6-12-8(13)4-3-7(11)9(14)15/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1

InChIKey

WKGTVHGVLRCTCF-ZETCQYMHSA-N

Compound name

(2S)-2-amino-5-(4-aminobutylamino)-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 57
Patents: 217.14264 Da
Monoisotopic Mass: -4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	218.14992	152.0
[M+Na]+	240.13186	154.7
[M-H]-	216.13536	149.3
[M+NH4]+	235.17646	167.9
[M+K]+	256.10580	153.9
[M+H-H2O]+	200.13990	145.3
[M+HCOO]-	262.14084	173.1
[M+CH3COO]-	276.15649	194.0
[M+Na-2H]-	238.11731	151.6
[M]+	217.14209	148.7
[M]-	217.14319	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe