CID 235510

3-amino-4-methylbenzenesulfonamide

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)N)N
InChI
InChI=1S/C7H10N2O2S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
InChIKey
HCZDHXMDYWZPPN-UHFFFAOYSA-N
Compound name
3-amino-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

186.0463 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.053576 136.0
[M+Na]+ 209.035518 145.1
[M-H]- 185.039024 139.5
[M+NH4]+ 204.080123 155.5
[M+K]+ 225.009458 141.7
[M+H-H2O]+ 169.043560 130.3
[M+HCOO]- 231.044501 155.6
[M+CH3COO]- 245.060151 182.8
[M+Na-2H]- 207.020966 139.8
[M]+ 186.04575142 135.3
[M]- 186.04684858 135.3
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