CID 112035

10399-13-0

Structural Information

Molecular Formula
C15H20O3
SMILES
COC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O
InChI
InChI=1S/C15H20O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13,17H,3,6-7,10-11H2,1H3
InChIKey
SPTZOODMHSABLY-UHFFFAOYSA-N
Compound name
methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

49
Patents

248.14125 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 158.3
[M+Na]+ 271.13047 168.7
[M+NH4]+ 266.17507 166.0
[M+K]+ 287.10441 163.2
[M-H]- 247.13397 160.7
[M+Na-2H]- 269.11592 164.6
[M]+ 248.14070 160.3
[M]- 248.14180 160.3
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