CID 1745308

N-carbamoylmethionine

Structural Information

Molecular Formula

C₆H₁₂N₂O₃S

SMILES

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

InChI

InChI=1S/C6H12N2O3S/c1-12-3-2-4(5(9)10)8-6(7)11/h4H,2-3H2,1H3,(H,9,10)(H3,7,8,11)/t4-/m0/s1

InChIKey

DEWDMTSMCKXBNP-BYPYZUCNSA-N

Compound name

(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 232
Patents: 192.05687 Da
Monoisotopic Mass: -0.5
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]+	193.06415	142.1
[M+Na]+	215.04609	147.0
[M+NH4]+	210.09069	147.4
[M+K]+	231.02003	143.4
[M-H]-	191.04959	139.8
[M+Na-2H]-	213.03154	141.9
[M]+	192.05632	141.9
[M]-	192.05742	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe