CID 118130060

1798331-38-0

Structural Information

Molecular Formula

C₄H₁₁NO₂S

SMILES

CS(=N)(=O)CCCO

InChI

InChI=1S/C4H11NO2S/c1-8(5,7)4-2-3-6/h5-6H,2-4H2,1H3

InChIKey

NXYHWBZATUVGMY-UHFFFAOYSA-N

Compound name

3-(methylsulfonimidoyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 137.05106 Da
Monoisotopic Mass: 0.6
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]+	138.05834	126.1
[M+Na]+	160.04028	133.6
[M-H]-	136.04378	125.4
[M+NH4]+	155.08488	147.4
[M+K]+	176.01422	131.6
[M+H-H2O]+	120.04832	121.8
[M+HCOO]-	182.04926	143.7
[M+CH3COO]-	196.06491	169.6
[M+Na-2H]-	158.02573	131.0
[M]+	137.05051	126.8
[M]-	137.05161	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe