CID 235529

5-amino-2,n,n-trimethyl-benzenesulfonamide

Structural Information

Molecular Formula
C9H14N2O2S
SMILES
CC1=C(C=C(C=C1)N)S(=O)(=O)N(C)C
InChI
InChI=1S/C9H14N2O2S/c1-7-4-5-8(10)6-9(7)14(12,13)11(2)3/h4-6H,10H2,1-3H3
InChIKey
SNBPDMLVDOVULQ-UHFFFAOYSA-N
Compound name
5-amino-N,N,2-trimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

20
Patents

214.0776 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08488 144.2
[M+Na]+ 237.06682 152.6
[M-H]- 213.07032 149.5
[M+NH4]+ 232.11142 163.5
[M+K]+ 253.04076 150.6
[M+H-H2O]+ 197.07486 138.0
[M+HCOO]- 259.07580 164.3
[M+CH3COO]- 273.09145 192.8
[M+Na-2H]- 235.05227 147.6
[M]+ 214.07705 146.6
[M]- 214.07815 146.6
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