CID 1134148

4-amino-n-cyclopropylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
C1CC1NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C9H12N2O2S/c10-7-1-5-9(6-2-7)14(12,13)11-8-3-4-8/h1-2,5-6,8,11H,3-4,10H2
InChIKey
KOLXPLAKQKRJLH-UHFFFAOYSA-N
Compound name
4-amino-N-cyclopropylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

212.06195 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06923 137.5
[M+Na]+ 235.05117 146.5
[M-H]- 211.05467 144.7
[M+NH4]+ 230.09577 151.0
[M+K]+ 251.02511 142.0
[M+H-H2O]+ 195.05921 131.1
[M+HCOO]- 257.06015 157.9
[M+CH3COO]- 271.07580 189.8
[M+Na-2H]- 233.03662 143.2
[M]+ 212.06140 139.5
[M]- 212.06250 139.5
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