CID 52940161

Benzyl-6-hydroxy-2-cyclohexene-on-oyl

Structural Information

Molecular Formula
C14H14O4
SMILES
C1CC(=O)C(C=C1)(C(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C14H14O4/c15-12-8-4-5-9-14(12,17)13(16)18-10-11-6-2-1-3-7-11/h1-3,5-7,9,17H,4,8,10H2
InChIKey
ILTCAPLRBIEGDX-UHFFFAOYSA-N
Compound name
benzyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

246.0892 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09648 155.2
[M+Na]+ 269.07842 167.1
[M+NH4]+ 264.12302 163.9
[M+K]+ 285.05236 159.3
[M-H]- 245.08192 157.7
[M+Na-2H]- 267.06387 163.5
[M]+ 246.08865 157.6
[M]- 246.08975 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.