CID 235520

3-amino-n,n-dimethylbenzene-1-sulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

330
Patents

200.06195 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06923 140.2
[M+Na]+ 223.05117 148.1
[M-H]- 199.05467 145.3
[M+NH4]+ 218.09577 159.8
[M+K]+ 239.02511 146.3
[M+H-H2O]+ 183.05921 133.9
[M+HCOO]- 245.06015 160.7
[M+CH3COO]- 259.07580 188.5
[M+Na-2H]- 221.03662 144.6
[M]+ 200.06140 141.8
[M]- 200.06250 141.8
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