CID 54446112

2-methanesulfonylpropan-1-amine

Structural Information

Molecular Formula

C₄H₁₁NO₂S

SMILES

CC(CN)S(=O)(=O)C

InChI

InChI=1S/C4H11NO2S/c1-4(3-5)8(2,6)7/h4H,3,5H2,1-2H3

InChIKey

PXTJZUBIUFLKMD-UHFFFAOYSA-N

Compound name

2-methylsulfonylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 137.05106 Da
Monoisotopic Mass: -0.9
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]+	138.05834	126.0
[M+Na]+	160.04028	133.7
[M-H]-	136.04378	126.3
[M+NH4]+	155.08488	147.7
[M+K]+	176.01422	132.7
[M+H-H2O]+	120.04832	121.5
[M+HCOO]-	182.04926	143.5
[M+CH3COO]-	196.06491	172.4
[M+Na-2H]-	158.02573	129.2
[M]+	137.05051	127.0
[M]-	137.05161	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe