CID 75411

N,n-diethylmethanesulfonamide

Structural Information

Molecular Formula

C₅H₁₃NO₂S

SMILES

CCN(CC)S(=O)(=O)C

InChI

InChI=1S/C5H13NO2S/c1-4-6(5-2)9(3,7)8/h4-5H2,1-3H3

InChIKey

KSEMETYAQIUBQB-UHFFFAOYSA-N

Compound name

N,N-diethylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1541
Patents: 151.0667 Da
Monoisotopic Mass: 0.2
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]+	152.073976	129.5
[M+Na]+	174.055918	137.2
[M-H]-	150.059424	131.7
[M+NH4]+	169.100523	151.7
[M+K]+	190.029858	137.4
[M+H-H2O]+	134.063960	124.6
[M+HCOO]-	196.064901	148.8
[M+CH3COO]-	210.080551	178.8
[M+Na-2H]-	172.041366	133.7
[M]+	151.06615142	133.8
[M]-	151.06724858	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe