CID 65801648

3-(aminomethyl)-4-methylbenzene-1-sulfonamidehydrochloride

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)N)CN
InChI
InChI=1S/C8H12N2O2S/c1-6-2-3-8(13(10,11)12)4-7(6)5-9/h2-4H,5,9H2,1H3,(H2,10,11,12)
InChIKey
VXJKSERJAPLCHT-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06195 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06923 141.9
[M+Na]+ 223.05117 151.7
[M+NH4]+ 218.09577 149.2
[M+K]+ 239.02511 145.5
[M-H]- 199.05467 143.4
[M+Na-2H]- 221.03662 146.7
[M]+ 200.06140 143.9
[M]- 200.06250 143.9
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

No patent data available for this compound.