CID 207940

31197-87-2

Structural Information

Molecular Formula
C16H22O3
SMILES
CCOC(C1CCCCC1)(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C16H22O3/c1-2-19-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3,(H,17,18)
InChIKey
YJTJKMRVFAJBTN-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-ethoxy-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1569 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16418 162.1
[M+Na]+ 285.14612 164.5
[M-H]- 261.14962 165.9
[M+NH4]+ 280.19072 177.2
[M+K]+ 301.12006 162.0
[M+H-H2O]+ 245.15416 155.0
[M+HCOO]- 307.15510 178.2
[M+CH3COO]- 321.17075 193.0
[M+Na-2H]- 283.13157 165.3
[M]+ 262.15635 158.2
[M]- 262.15745 158.2
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

patents stripe