CID 10753963

161313-45-7

Structural Information

Molecular Formula
C16H22O3
SMILES
C1CCC(CC1)C[C@H](C(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C16H22O3/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h2,5-6,9-10,13,15,17H,1,3-4,7-8,11-12H2/t15-/m1/s1
InChIKey
SAVRNLPPOWUZCP-OAHLLOKOSA-N
Compound name
benzyl (2R)-3-cyclohexyl-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

262.1569 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16418 163.1
[M+Na]+ 285.14612 164.9
[M-H]- 261.14962 166.7
[M+NH4]+ 280.19072 178.1
[M+K]+ 301.12006 162.3
[M+H-H2O]+ 245.15416 155.5
[M+HCOO]- 307.15510 179.8
[M+CH3COO]- 321.17075 192.8
[M+Na-2H]- 283.13157 164.2
[M]+ 262.15635 159.0
[M]- 262.15745 159.0
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