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

91
Patents

212.06195 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.069226 137.5
[M+Na]+ 235.051168 146.5
[M-H]- 211.054674 144.7
[M+NH4]+ 230.095773 151.0
[M+K]+ 251.025108 142.0
[M+H-H2O]+ 195.059210 131.1
[M+HCOO]- 257.060151 157.9
[M+CH3COO]- 271.075801 189.8
[M+Na-2H]- 233.036616 143.2
[M]+ 212.06140142 139.5
[M]- 212.06249858 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