CID 114629

Methionine hydantoin

Structural Information

Molecular Formula

C₆H₁₀N₂O₂S

SMILES

CSCC[C@@H]1C(=O)NC(=O)N1

InChI

InChI=1S/C6H10N2O2S/c1-11-3-2-4-5(9)8-6(10)7-4/h4H,2-3H2,1H3,(H2,7,8,9,10)/t4-/m1/s1

InChIKey

SBKRXUMXMKBCLD-SCSAIBSYSA-N

Compound name

(5R)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 12
References: 1060
Patents: 174.0463 Da
Monoisotopic Mass: 0.0
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]+	175.05358	136.7
[M+Na]+	197.03552	145.1
[M-H]-	173.03902	135.1
[M+NH4]+	192.08012	155.5
[M+K]+	213.00946	141.5
[M+H-H2O]+	157.04356	131.1
[M+HCOO]-	219.04450	150.1
[M+CH3COO]-	233.06015	171.7
[M+Na-2H]-	195.02097	136.2
[M]+	174.04575	135.2
[M]-	174.04685	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe