CID 16460979

4-(aminomethyl)-n-ethylbenzene-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C9H14N2O2S
SMILES
CCNS(=O)(=O)C1=CC=C(C=C1)CN
InChI
InChI=1S/C9H14N2O2S/c1-2-11-14(12,13)9-5-3-8(7-10)4-6-9/h3-6,11H,2,7,10H2,1H3
InChIKey
PQFVNVSVSXPKPY-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N-ethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

214.0776 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08488 144.5
[M+Na]+ 237.06682 151.9
[M-H]- 213.07032 147.9
[M+NH4]+ 232.11142 162.9
[M+K]+ 253.04076 148.4
[M+H-H2O]+ 197.07486 138.3
[M+HCOO]- 259.07580 164.2
[M+CH3COO]- 273.09145 188.2
[M+Na-2H]- 235.05227 149.2
[M]+ 214.07705 145.2
[M]- 214.07815 145.2
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