CID 4547916

N-(2-methylpropyl)methanesulfonamide

Structural Information

Molecular Formula
C5H13NO2S
SMILES
CC(C)CNS(=O)(=O)C
InChI
InChI=1S/C5H13NO2S/c1-5(2)4-6-9(3,7)8/h5-6H,4H2,1-3H3
InChIKey
XBGDRQUFMJRVAL-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

151.0667 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.073976 130.1
[M+Na]+ 174.055918 137.3
[M-H]- 150.059424 130.8
[M+NH4]+ 169.100523 151.5
[M+K]+ 190.029858 136.5
[M+H-H2O]+ 134.063960 125.4
[M+HCOO]- 196.064901 147.9
[M+CH3COO]- 210.080551 176.1
[M+Na-2H]- 172.041366 133.8
[M]+ 151.06615142 132.5
[M]- 151.06724858 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe