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
1
Annotation Hits

0
References

1673
Patents

151.0667 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07398 129.5
[M+Na]+ 174.05592 137.2
[M-H]- 150.05942 131.7
[M+NH4]+ 169.10052 151.7
[M+K]+ 190.02986 137.4
[M+H-H2O]+ 134.06396 124.6
[M+HCOO]- 196.06490 148.8
[M+CH3COO]- 210.08055 178.8
[M+Na-2H]- 172.04137 133.7
[M]+ 151.06615 133.8
[M]- 151.06725 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe