CID 14471249

4-(3-aminopropyl)benzene-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C9H14N2O2S
SMILES
C1=CC(=CC=C1CCCN)S(=O)(=O)N
InChI
InChI=1S/C9H14N2O2S/c10-7-1-2-8-3-5-9(6-4-8)14(11,12)13/h3-6H,1-2,7,10H2,(H2,11,12,13)
InChIKey
QJFUYJHXJQEQCM-UHFFFAOYSA-N
Compound name
4-(3-aminopropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
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 144.8
[M+Na]+ 237.06682 152.2
[M-H]- 213.07032 147.6
[M+NH4]+ 232.11142 162.9
[M+K]+ 253.04076 148.3
[M+H-H2O]+ 197.07486 138.6
[M+HCOO]- 259.07580 163.9
[M+CH3COO]- 273.09145 187.6
[M+Na-2H]- 235.05227 148.4
[M]+ 214.07705 144.5
[M]- 214.07815 144.5
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