CID 96757

Glycyl-dl-methionine

Structural Information

Molecular Formula

C₇H₁₄N₂O₃S

SMILES

CSCCC(C(=O)O)NC(=O)CN

InChI

InChI=1S/C7H14N2O3S/c1-13-3-2-5(7(11)12)9-6(10)4-8/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)

InChIKey

PFMUCCYYAAFKTH-UHFFFAOYSA-N

Compound name

2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 2248
Patents: 206.07251 Da
Monoisotopic Mass: -3.1
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]+	207.07979	146.3
[M+Na]+	229.06173	151.0
[M+NH4]+	224.10633	151.4
[M+K]+	245.03567	147.1
[M-H]-	205.06523	143.9
[M+Na-2H]-	227.04718	145.9
[M]+	206.07196	146.0
[M]-	206.07306	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe