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]+ 269.211136 166.6
[M+Na]+ 291.193078 165.9
[M-H]- 267.196584 169.1
[M+NH4]+ 286.237683 181.1
[M+K]+ 307.167018 164.0
[M+H-H2O]+ 251.201120 159.7
[M+HCOO]- 313.202061 178.3
[M+CH3COO]- 327.217711 194.2
[M+Na-2H]- 289.178526 166.8
[M]+ 268.20331142 158.5
[M]- 268.20440858 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.