CID 217399

Cyclohexanecarboxylic acid, 4-octyl-

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCCCCCCC1CCC(CC1)C(=O)O
InChI
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h13-14H,2-12H2,1H3,(H,16,17)
InChIKey
VJWVLGWMZNFPGO-UHFFFAOYSA-N
Compound name
4-octylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

240.20892 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 162.4
[M+Na]+ 263.198138 164.7
[M-H]- 239.201644 162.8
[M+NH4]+ 258.242743 179.2
[M+K]+ 279.172078 161.9
[M+H-H2O]+ 223.206180 156.1
[M+HCOO]- 285.207121 178.7
[M+CH3COO]- 299.222771 193.1
[M+Na-2H]- 261.183586 162.0
[M]+ 240.20837142 160.3
[M]- 240.20946858 160.3
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