CID 4190095

N-cyclopropyl-4-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C10H13NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2CC2
InChI
InChI=1S/C10H13NO2S/c1-8-2-6-10(7-3-8)14(12,13)11-9-4-5-9/h2-3,6-7,9,11H,4-5H2,1H3
InChIKey
PFGWZABBMVYDBP-UHFFFAOYSA-N
Compound name
N-cyclopropyl-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

68
Patents

211.0667 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.073976 139.7
[M+Na]+ 234.055918 149.2
[M-H]- 210.059424 147.5
[M+NH4]+ 229.100523 154.0
[M+K]+ 250.029858 145.3
[M+H-H2O]+ 194.063960 133.3
[M+HCOO]- 256.064901 159.5
[M+CH3COO]- 270.080551 188.5
[M+Na-2H]- 232.041366 145.2
[M]+ 211.06615142 143.7
[M]- 211.06724858 143.7
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