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]+ 229.143426 151.8
[M+Na]+ 251.125368 158.2
[M-H]- 227.128874 158.0
[M+NH4]+ 246.169973 164.9
[M+K]+ 267.099308 158.2
[M+H-H2O]+ 211.133410 146.2
[M+HCOO]- 273.134351 168.6
[M+CH3COO]- 287.150001 188.7
[M+Na-2H]- 249.110816 155.9
[M]+ 228.13560142 153.9
[M]- 228.13669858 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.