CID 20224904

N-(2-hydroxypropyl)-n-methylmethanesulfonamide

Structural Information

Molecular Formula

C₅H₁₃NO₃S

SMILES

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

InChI

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

InChIKey

WXCXGDONMSBJFT-UHFFFAOYSA-N

Compound name

N-(2-hydroxypropyl)-N-methylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 167.06161 Da
Monoisotopic Mass: -0.7
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]+	168.06889	133.1
[M+Na]+	190.05083	139.9
[M-H]-	166.05433	133.8
[M+NH4]+	185.09543	153.7
[M+K]+	206.02477	140.0
[M+H-H2O]+	150.05887	128.2
[M+HCOO]-	212.05981	150.1
[M+CH3COO]-	226.07546	179.1
[M+Na-2H]-	188.03628	135.9
[M]+	167.06106	136.3
[M]-	167.06216	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe