CID 22815437

(2s)-2-amino-4-methanesulfonylbutan-1-ol

Structural Information

Molecular Formula

C₅H₁₃NO₃S

SMILES

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

InChI

InChI=1S/C5H13NO3S/c1-10(8,9)3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1

InChIKey

SZRSIVJCOVPFBI-YFKPBYRVSA-N

Compound name

(2S)-2-amino-4-methylsulfonylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 167.06161 Da
Monoisotopic Mass: -1.6
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]+	168.068886	134.1
[M+Na]+	190.050828	140.7
[M-H]-	166.054334	132.6
[M+NH4]+	185.095433	153.7
[M+K]+	206.024768	139.0
[M+H-H2O]+	150.058870	129.3
[M+HCOO]-	212.059811	149.9
[M+CH3COO]-	226.075461	175.0
[M+Na-2H]-	188.036276	136.4
[M]+	167.06106142	134.9
[M]-	167.06215858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe