CID 295624

23673-45-2

Structural Information

Molecular Formula
C14H16O5
SMILES
COC1=CC=C(C=C1)C2CCC(=O)CC2(C(=O)O)O
InChI
InChI=1S/C14H16O5/c1-19-11-5-2-9(3-6-11)12-7-4-10(15)8-14(12,18)13(16)17/h2-3,5-6,12,18H,4,7-8H2,1H3,(H,16,17)
InChIKey
OHGKIELKQXELNR-UHFFFAOYSA-N
Compound name
1-hydroxy-2-(4-methoxyphenyl)-5-oxocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.09976 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10704 157.1
[M+Na]+ 287.08898 163.5
[M-H]- 263.09248 161.2
[M+NH4]+ 282.13358 174.1
[M+K]+ 303.06292 161.2
[M+H-H2O]+ 247.09702 151.2
[M+HCOO]- 309.09796 174.6
[M+CH3COO]- 323.11361 190.9
[M+Na-2H]- 285.07443 159.6
[M]+ 264.09921 155.1
[M]- 264.10031 155.1
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.