CID 21351436

1-(cyclohexylmethyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C14H24O2
SMILES
C1CCC(CC1)CC2(CCCCC2)C(=O)O
InChI
InChI=1S/C14H24O2/c15-13(16)14(9-5-2-6-10-14)11-12-7-3-1-4-8-12/h12H,1-11H2,(H,15,16)
InChIKey
XUUYKKGGKZOADV-UHFFFAOYSA-N
Compound name
1-(cyclohexylmethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

224.17763 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 156.8
[M+Na]+ 247.16685 157.6
[M-H]- 223.17035 159.8
[M+NH4]+ 242.21145 175.1
[M+K]+ 263.14079 155.3
[M+H-H2O]+ 207.17489 150.3
[M+HCOO]- 269.17583 170.5
[M+CH3COO]- 283.19148 185.3
[M+Na-2H]- 245.15230 157.9
[M]+ 224.17708 147.1
[M]- 224.17818 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe