CID 3041937

Tai-401

Structural Information

Molecular Formula
C19H26O2
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C3(CCCCC3)C(=O)O
InChI
InChI=1S/C19H26O2/c20-18(21)19(13-5-2-6-14-19)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h9-12,15H,1-8,13-14H2,(H,20,21)
InChIKey
KSJWNZUPXZPLRJ-UHFFFAOYSA-N
Compound name
1-(4-cyclohexylphenyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

286.19327 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.20055 172.9
[M+Na]+ 309.18249 184.0
[M+NH4]+ 304.22709 183.2
[M+K]+ 325.15643 174.3
[M-H]- 285.18599 178.7
[M+Na-2H]- 307.16794 181.3
[M]+ 286.19272 176.2
[M]- 286.19382 176.2
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