CID 22342009

Gc dipeptide

Structural Information

Molecular Formula

C₅H₁₀N₂O₃S

SMILES

C(C(C(=O)O)NC(=O)CN)S

InChI

InChI=1S/C5H10N2O3S/c6-1-4(8)7-3(2-11)5(9)10/h3,11H,1-2,6H2,(H,7,8)(H,9,10)

InChIKey

MFBYPDKTAJXHNI-UHFFFAOYSA-N

Compound name

2-[(2-aminoacetyl)amino]-3-sulfanylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 109
Patents: 178.04121 Da
Monoisotopic Mass: -3.7
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]+	179.04849	137.9
[M+Na]+	201.03043	143.0
[M+NH4]+	196.07503	143.4
[M+K]+	217.00437	139.6
[M-H]-	177.03393	135.6
[M+Na-2H]-	199.01588	138.0
[M]+	178.04066	137.7
[M]-	178.04176	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe