CID 57043082

1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C13H16O3
SMILES
C1CCC(CC1)(C2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C13H16O3/c14-11-6-4-10(5-7-11)13(12(15)16)8-2-1-3-9-13/h4-7,14H,1-3,8-9H2,(H,15,16)
InChIKey
GEQLJOZVOMELKM-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

220.10994 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11722 150.3
[M+Na]+ 243.09916 161.4
[M+NH4]+ 238.14376 159.6
[M+K]+ 259.07310 153.9
[M-H]- 219.10266 153.0
[M+Na-2H]- 241.08461 157.9
[M]+ 220.10939 152.6
[M]- 220.11049 152.6
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

patents stripe