CID 5303061

3-amino-n-cyclopropylbenzene-1-sulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

212.06195 Da
Monoisotopic Mass

0.6
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

No literature data available for this compound.

Patent stripe

patents stripe