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]+ 216.06889 144.1
[M+Na]+ 238.05083 151.8
[M-H]- 214.05433 146.7
[M+NH4]+ 233.09543 162.3
[M+K]+ 254.02477 148.4
[M+H-H2O]+ 198.05887 138.4
[M+HCOO]- 260.05981 162.2
[M+CH3COO]- 274.07546 183.4
[M+Na-2H]- 236.03628 149.0
[M]+ 215.06106 146.2
[M]- 215.06216 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.