CID 6992930

L-methionylglycine

Structural Information

Molecular Formula

C₇H₁₄N₂O₃S

SMILES

CSCC[C@@H](C(=O)NCC(=O)O)N

InChI

InChI=1S/C7H14N2O3S/c1-13-3-2-5(8)7(12)9-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)/t5-/m0/s1

InChIKey

QXOHLNCNYLGICT-YFKPBYRVSA-N

Compound name

2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 12
References: 2949
Patents: 206.07251 Da
Monoisotopic Mass: -3.0
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]+	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