CID 3069706

Noname_1098

Structural Information

Molecular Formula
C21H24O3
SMILES
CC1CCC(CC1)(C(C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)O
InChI
InChI=1S/C21H24O3/c1-15-11-13-21(24,14-12-15)19(20(22)23)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,15,19,24H,11-14H2,1H3,(H,22,23)
InChIKey
BXFUVRWYFFKERN-UHFFFAOYSA-N
Compound name
2-(1-hydroxy-4-methylcyclohexyl)-2-(4-phenylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.17255 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.179826 179.2
[M+Na]+ 347.161768 182.5
[M-H]- 323.165274 185.2
[M+NH4]+ 342.206373 192.9
[M+K]+ 363.135708 177.9
[M+H-H2O]+ 307.169810 171.1
[M+HCOO]- 369.170751 194.0
[M+CH3COO]- 383.186401 204.1
[M+Na-2H]- 345.147216 179.3
[M]+ 324.17200142 173.5
[M]- 324.17309858 173.5
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.