CID 137966029

2230802-74-9

Structural Information

Molecular Formula
C11H18O4
SMILES
CCOC(=O)C12CC(C1)(OC2(C)C)CO
InChI
InChI=1S/C11H18O4/c1-4-14-8(13)11-5-10(6-11,7-12)15-9(11,2)3/h12H,4-7H2,1-3H3
InChIKey
CXSFGFOMEGMXDH-UHFFFAOYSA-N
Compound name
ethyl 1-(hydroxymethyl)-3,3-dimethyl-2-oxabicyclo[2.1.1]hexane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12051 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.127786 156.0
[M+Na]+ 237.109728 162.9
[M-H]- 213.113234 157.0
[M+NH4]+ 232.154333 179.1
[M+K]+ 253.083668 164.3
[M+H-H2O]+ 197.117770 152.0
[M+HCOO]- 259.118711 170.7
[M+CH3COO]- 273.134361 189.2
[M+Na-2H]- 235.095176 164.0
[M]+ 214.11996142 172.8
[M]- 214.12105858 172.8
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.