CID 165993357

2-hydroxy-6-oxo-n-phenylcyclohex-1-ene-1-carboxamide

Structural Information

Molecular Formula
C13H13NO3
SMILES
C1CC(=C(C(=O)C1)C(=O)NC2=CC=CC=C2)O
InChI
InChI=1S/C13H13NO3/c15-10-7-4-8-11(16)12(10)13(17)14-9-5-2-1-3-6-9/h1-3,5-6,15H,4,7-8H2,(H,14,17)
InChIKey
RAHGMMUFYKDPNV-UHFFFAOYSA-N
Compound name
2-hydroxy-6-oxo-N-phenylcyclohexene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08954 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.096816 149.6
[M+Na]+ 254.078758 155.3
[M-H]- 230.082264 154.8
[M+NH4]+ 249.123363 166.2
[M+K]+ 270.052698 152.2
[M+H-H2O]+ 214.086800 142.5
[M+HCOO]- 276.087741 171.0
[M+CH3COO]- 290.103391 189.2
[M+Na-2H]- 252.064206 153.6
[M]+ 231.08899142 145.9
[M]- 231.09008858 145.9
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.