CID 43165058

N-(3-cyanophenyl)-2-hydroxyacetamide

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)CO)C#N
InChI
InChI=1S/C9H8N2O2/c10-5-7-2-1-3-8(4-7)11-9(13)6-12/h1-4,12H,6H2,(H,11,13)
InChIKey
PEDQPVFOYMTIFR-UHFFFAOYSA-N
Compound name
N-(3-cyanophenyl)-2-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.05858 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 140.0
[M+Na]+ 199.04780 150.4
[M+NH4]+ 194.09240 143.9
[M+K]+ 215.02174 142.1
[M-H]- 175.05130 134.0
[M+Na-2H]- 197.03325 143.1
[M]+ 176.05803 138.7
[M]- 176.05913 138.7
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.