CID 58833

Dicyclohexylethoxyacetic acid

Structural Information

Molecular Formula
C16H28O3
SMILES
CCOC(C1CCCCC1)(C2CCCCC2)C(=O)O
InChI
InChI=1S/C16H28O3/c1-2-19-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3,(H,17,18)
InChIKey
XYFAHARHQXATDJ-UHFFFAOYSA-N
Compound name
2,2-dicyclohexyl-2-ethoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.20386 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.21114 166.5
[M+Na]+ 291.19308 173.9
[M+NH4]+ 286.23768 173.8
[M+K]+ 307.16702 168.8
[M-H]- 267.19658 168.3
[M+Na-2H]- 289.17853 169.9
[M]+ 268.20331 167.7
[M]- 268.20441 167.7
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

No patent data available for this compound.