CID 9167228

[4-(aminomethyl)phenyl]methanesulfonamide

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
C1=CC(=CC=C1CN)CS(=O)(=O)N
InChI
InChI=1S/C8H12N2O2S/c9-5-7-1-3-8(4-2-7)6-13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
InChIKey
NBYQWCMTKNOMBS-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

200.06195 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06923 140.4
[M+Na]+ 223.05117 148.3
[M-H]- 199.05467 143.4
[M+NH4]+ 218.09577 159.1
[M+K]+ 239.02511 144.6
[M+H-H2O]+ 183.05921 134.4
[M+HCOO]- 245.06015 159.8
[M+CH3COO]- 259.07580 184.6
[M+Na-2H]- 221.03662 144.5
[M]+ 200.06140 139.8
[M]- 200.06250 139.8
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