CID 188962

4-(aminomethyl)benzenesulfonic acid

Structural Information

Molecular Formula
C7H9NO3S
SMILES
C1=CC(=CC=C1CN)S(=O)(=O)O
InChI
InChI=1S/C7H9NO3S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H,9,10,11)
InChIKey
WYVXAVWJOAZDID-UHFFFAOYSA-N
Compound name
4-(aminomethyl)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

366
Patents

187.03032 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03760 137.0
[M+Na]+ 210.01954 147.2
[M+NH4]+ 205.06414 144.2
[M+K]+ 225.99348 141.3
[M-H]- 186.02304 137.5
[M+Na-2H]- 208.00499 142.0
[M]+ 187.02977 138.8
[M]- 187.03087 138.8
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