CID 86811731

1798707-11-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 140.4
[M+Na]+ 223.05117 149.1
[M-H]- 199.05467 143.7
[M+NH4]+ 218.09577 159.3
[M+K]+ 239.02511 145.4
[M+H-H2O]+ 183.05921 134.6
[M+HCOO]- 245.06015 159.7
[M+CH3COO]- 259.07580 185.8
[M+Na-2H]- 221.03662 143.8
[M]+ 200.06140 140.1
[M]- 200.06250 140.1
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

patents stripe