CID 178244131

N-(benzenesulfonyl)-2-hydroxypropan-1-imine oxide

Structural Information

Molecular Formula
C9H11NO4S
SMILES
CC(C=[N+]([O-])S(=O)(=O)C1=CC=CC=C1)O
InChI
InChI=1S/C9H11NO4S/c1-8(11)7-10(12)15(13,14)9-5-3-2-4-6-9/h2-8,11H,1H3
InChIKey
AJPCTZFOYDKSPM-UHFFFAOYSA-N
Compound name
N-(benzenesulfonyl)-2-hydroxypropan-1-imine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.04088 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.048156 145.9
[M+Na]+ 252.030098 151.8
[M-H]- 228.033604 148.2
[M+NH4]+ 247.074703 162.5
[M+K]+ 268.004038 144.7
[M+H-H2O]+ 212.038140 144.7
[M+HCOO]- 274.039081 163.0
[M+CH3COO]- 288.054731 176.1
[M+Na-2H]- 250.015546 151.6
[M]+ 229.04033142 144.5
[M]- 229.04142858 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

No patent data available for this compound.