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

47
Patents

214.0776 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.084876 144.8
[M+Na]+ 237.066818 152.2
[M-H]- 213.070324 147.6
[M+NH4]+ 232.111423 162.9
[M+K]+ 253.040758 148.3
[M+H-H2O]+ 197.074860 138.6
[M+HCOO]- 259.075801 163.9
[M+CH3COO]- 273.091451 187.6
[M+Na-2H]- 235.052266 148.4
[M]+ 214.07705142 144.5
[M]- 214.07814858 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