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]+ 215.12779 156.0
[M+Na]+ 237.10973 162.9
[M-H]- 213.11323 157.0
[M+NH4]+ 232.15433 179.1
[M+K]+ 253.08367 164.3
[M+H-H2O]+ 197.11777 152.0
[M+HCOO]- 259.11871 170.7
[M+CH3COO]- 273.13436 189.2
[M+Na-2H]- 235.09518 164.0
[M]+ 214.11996 172.8
[M]- 214.12106 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.