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 151.8
[M+Na]+ 251.12537 158.2
[M-H]- 227.12887 158.0
[M+NH4]+ 246.16997 164.9
[M+K]+ 267.09931 158.2
[M+H-H2O]+ 211.13341 146.2
[M+HCOO]- 273.13435 168.6
[M+CH3COO]- 287.15000 188.7
[M+Na-2H]- 249.11082 155.9
[M]+ 228.13560 153.9
[M]- 228.13670 153.9
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.