CID 21127856

4-hydroxy-n-propylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C9H13NO3S
SMILES
CCCNS(=O)(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C9H13NO3S/c1-2-7-10-14(12,13)9-5-3-8(11)4-6-9/h3-6,10-11H,2,7H2,1H3
InChIKey
WUUUOCMXAGTQFV-UHFFFAOYSA-N
Compound name
4-hydroxy-N-propylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.06161 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.068886 144.1
[M+Na]+ 238.050828 151.8
[M-H]- 214.054334 146.7
[M+NH4]+ 233.095433 162.3
[M+K]+ 254.024768 148.4
[M+H-H2O]+ 198.058870 138.4
[M+HCOO]- 260.059811 162.2
[M+CH3COO]- 274.075461 183.4
[M+Na-2H]- 236.036276 149.0
[M]+ 215.06106142 146.2
[M]- 215.06215858 146.2
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

No patent data available for this compound.