CID 2774210

N-(5-amino-2-methylphenyl)methanesulfonamide

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
CC1=C(C=C(C=C1)N)NS(=O)(=O)C
InChI
InChI=1S/C8H12N2O2S/c1-6-3-4-7(9)5-8(6)10-13(2,11)12/h3-5,10H,9H2,1-2H3
InChIKey
GQZVKPMCUDEXBW-UHFFFAOYSA-N
Compound name
N-(5-amino-2-methylphenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

30
Patents

200.06195 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06923 140.0
[M+Na]+ 223.05117 148.7
[M-H]- 199.05467 143.9
[M+NH4]+ 218.09577 159.2
[M+K]+ 239.02511 145.4
[M+H-H2O]+ 183.05921 134.2
[M+HCOO]- 245.06015 159.9
[M+CH3COO]- 259.07580 186.4
[M+Na-2H]- 221.03662 144.5
[M]+ 200.06140 140.7
[M]- 200.06250 140.7
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