CID 132327803

2126163-17-3

Structural Information

Molecular Formula
C12H20O4
SMILES
CCOC(=O)C1CCC(CC1)(CC2CO2)O
InChI
InChI=1S/C12H20O4/c1-2-15-11(13)9-3-5-12(14,6-4-9)7-10-8-16-10/h9-10,14H,2-8H2,1H3
InChIKey
VRRHBZSACFVUQD-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-4-(oxiran-2-ylmethyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.13615 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14343 154.1
[M+Na]+ 251.12537 164.9
[M+NH4]+ 246.16997 163.2
[M+K]+ 267.09931 160.1
[M-H]- 227.12887 163.8
[M+Na-2H]- 249.11082 161.3
[M]+ 228.13560 159.5
[M]- 228.13670 159.5
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.