CID 3661562

Dicyclohexylacetic acid

Structural Information

Molecular Formula
C14H24O2
SMILES
C1CCC(CC1)C(C2CCCCC2)C(=O)O
InChI
InChI=1S/C14H24O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10H2,(H,15,16)
InChIKey
PGGMEZOUAPIYOY-UHFFFAOYSA-N
Compound name
2,2-dicyclohexylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

468
Patents

224.17763 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 156.0
[M+Na]+ 247.16685 155.5
[M-H]- 223.17035 158.7
[M+NH4]+ 242.21145 172.2
[M+K]+ 263.14079 153.5
[M+H-H2O]+ 207.17489 149.0
[M+HCOO]- 269.17583 168.7
[M+CH3COO]- 283.19148 186.6
[M+Na-2H]- 245.15230 155.0
[M]+ 224.17708 145.4
[M]- 224.17818 145.4
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