CID 131955097

Efx

Structural Information

Molecular Formula
C15H14O4
SMILES
COC(=O)C1CC=CC(=C1)C2=CC(=CC=C2)C(=O)O
InChI
InChI=1S/C15H14O4/c1-19-15(18)13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(16)17/h2-6,8-9,13H,7H2,1H3,(H,16,17)
InChIKey
HHZLWXQSHBEKQH-UHFFFAOYSA-N
Compound name
3-(3-methoxycarbonylcyclohexa-1,5-dien-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0892 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 157.3
[M+Na]+ 281.07842 169.9
[M+NH4]+ 276.12302 164.3
[M+K]+ 297.05236 164.4
[M-H]- 257.08192 159.9
[M+Na-2H]- 279.06387 164.1
[M]+ 258.08865 159.6
[M]- 258.08975 159.6
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.