CID 11694375

84976-67-0

Structural Information

Molecular Formula
C15H26O2
SMILES
CCC1CCC(CC1)C2CCC(CC2)C(=O)O
InChI
InChI=1S/C15H26O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h11-14H,2-10H2,1H3,(H,16,17)
InChIKey
OQIHEFMTIUJJET-UHFFFAOYSA-N
Compound name
4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

238.19328 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 159.7
[M+Na]+ 261.18250 168.8
[M+NH4]+ 256.22710 168.0
[M+K]+ 277.15644 162.5
[M-H]- 237.18600 162.8
[M+Na-2H]- 259.16795 163.3
[M]+ 238.19273 161.5
[M]- 238.19383 161.5
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

patents stripe