CID 101310

4-methyl-n-(2-methylpropyl)benzenesulfonamide

Structural Information

Molecular Formula
C11H17NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCC(C)C
InChI
InChI=1S/C11H17NO2S/c1-9(2)8-12-15(13,14)11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3
InChIKey
AAJQLLWEQXLVJJ-UHFFFAOYSA-N
Compound name
4-methyl-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

227.098 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.105276 149.3
[M+Na]+ 250.087218 156.5
[M-H]- 226.090724 153.2
[M+NH4]+ 245.131823 167.9
[M+K]+ 266.061158 153.6
[M+H-H2O]+ 210.095260 143.3
[M+HCOO]- 272.096201 167.1
[M+CH3COO]- 286.111851 190.7
[M+Na-2H]- 248.072666 152.5
[M]+ 227.09745142 152.0
[M]- 227.09854858 152.0
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