CID 445282

L-methionine sulfone

Structural Information

Molecular Formula

C₅H₁₁NO₄S

SMILES

CS(=O)(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

InChIKey

UCUNFLYVYCGDHP-BYPYZUCNSA-N

Compound name

(2S)-2-amino-4-methylsulfonylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 70
References: 16376
Patents: 181.04088 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]+	182.04816	135.8
[M+Na]+	204.03010	142.2
[M-H]-	180.03360	134.3
[M+NH4]+	199.07470	154.6
[M+K]+	220.00404	140.9
[M+H-H2O]+	164.03814	131.0
[M+HCOO]-	226.03908	151.0
[M+CH3COO]-	240.05473	177.1
[M+Na-2H]-	202.01555	137.3
[M]+	181.04033	136.7
[M]-	181.04143	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe