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 166.6
[M+Na]+ 291.19308 165.9
[M-H]- 267.19658 169.1
[M+NH4]+ 286.23768 181.1
[M+K]+ 307.16702 164.0
[M+H-H2O]+ 251.20112 159.7
[M+HCOO]- 313.20206 178.3
[M+CH3COO]- 327.21771 194.2
[M+Na-2H]- 289.17853 166.8
[M]+ 268.20331 158.5
[M]- 268.20441 158.5
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.