CID 299604

4-(cyclohexylmethyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C14H24O2
SMILES
C1CCC(CC1)CC2CCC(CC2)C(=O)O
InChI
InChI=1S/C14H24O2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h11-13H,1-10H2,(H,15,16)
InChIKey
YARQMPDXVPZULU-UHFFFAOYSA-N
Compound name
4-(cyclohexylmethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

224.17763 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.184906 155.5
[M+Na]+ 247.166848 156.3
[M-H]- 223.170354 158.6
[M+NH4]+ 242.211453 172.1
[M+K]+ 263.140788 153.8
[M+H-H2O]+ 207.174890 148.7
[M+HCOO]- 269.175831 169.2
[M+CH3COO]- 283.191481 186.9
[M+Na-2H]- 245.152296 155.1
[M]+ 224.17708142 146.0
[M]- 224.17817858 146.0
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