CID 189156

Gamma-glu-orn

Structural Information

Molecular Formula

C₁₀H₁₉N₃O₅

SMILES

C(C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N)CN

InChI

InChI=1S/C10H19N3O5/c11-5-1-2-7(10(17)18)13-9(16)6(12)3-4-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1

InChIKey

FCQBDQYWNGUTPD-BQBZGAKWSA-N

Compound name

(4S)-4-amino-5-[[(1S)-4-amino-1-carboxybutyl]amino]-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 135
Patents: 261.13248 Da
Monoisotopic Mass: -7.5
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]+	262.139756	160.9
[M+Na]+	284.121698	162.4
[M-H]-	260.125204	156.7
[M+NH4]+	279.166303	173.8
[M+K]+	300.095638	162.4
[M+H-H2O]+	244.129740	153.9
[M+HCOO]-	306.130681	178.9
[M+CH3COO]-	320.146331	200.5
[M+Na-2H]-	282.107146	157.2
[M]+	261.13193142	156.9
[M]-	261.13302858	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe