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

141
Patents

240.20892 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 162.4
[M+Na]+ 263.19814 164.7
[M-H]- 239.20164 162.8
[M+NH4]+ 258.24274 179.2
[M+K]+ 279.17208 161.9
[M+H-H2O]+ 223.20618 156.1
[M+HCOO]- 285.20712 178.7
[M+CH3COO]- 299.22277 193.1
[M+Na-2H]- 261.18359 162.0
[M]+ 240.20837 160.3
[M]- 240.20947 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