CID 668752

N-cyclopentyl-4-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C12H17NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2CCCC2
InChI
InChI=1S/C12H17NO2S/c1-10-6-8-12(9-7-10)16(14,15)13-11-4-2-3-5-11/h6-9,11,13H,2-5H2,1H3
InChIKey
GXUUMIXUNMJARY-UHFFFAOYSA-N
Compound name
N-cyclopentyl-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

36
Patents

239.098 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.105276 153.3
[M+Na]+ 262.087218 159.9
[M-H]- 238.090724 159.9
[M+NH4]+ 257.131823 172.8
[M+K]+ 278.061158 156.5
[M+H-H2O]+ 222.095260 147.2
[M+HCOO]- 284.096201 171.4
[M+CH3COO]- 298.111851 189.2
[M+Na-2H]- 260.072666 155.6
[M]+ 239.09745142 152.7
[M]- 239.09854858 152.7
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