CID 13343581

N-methylbutane-1-sulfonamide

Structural Information

Molecular Formula
C5H13NO2S
SMILES
CCCCS(=O)(=O)NC
InChI
InChI=1S/C5H13NO2S/c1-3-4-5-9(7,8)6-2/h6H,3-5H2,1-2H3
InChIKey
CJUPBDDCEQLSBF-UHFFFAOYSA-N
Compound name
N-methylbutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

428
Patents

151.0667 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07398 130.0
[M+Na]+ 174.05592 137.6
[M-H]- 150.05942 130.7
[M+NH4]+ 169.10052 151.5
[M+K]+ 190.02986 136.3
[M+H-H2O]+ 134.06396 125.3
[M+HCOO]- 196.06490 148.8
[M+CH3COO]- 210.08055 175.3
[M+Na-2H]- 172.04137 134.9
[M]+ 151.06615 133.0
[M]- 151.06725 133.0
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