CID 44145730

94231-42-2

Structural Information

Molecular Formula
C11H16O4
SMILES
CCC1(CCC2C(C1OC(=O)C=C)O2)O
InChI
InChI=1S/C11H16O4/c1-3-8(12)15-10-9-7(14-9)5-6-11(10,13)4-2/h3,7,9-10,13H,1,4-6H2,2H3
InChIKey
JKXPMYGCURNNGT-UHFFFAOYSA-N
Compound name
(3-ethyl-3-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10486 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.112136 147.4
[M+Na]+ 235.094078 156.4
[M-H]- 211.097584 152.1
[M+NH4]+ 230.138683 162.6
[M+K]+ 251.068018 155.2
[M+H-H2O]+ 195.102120 142.8
[M+HCOO]- 257.103061 164.1
[M+CH3COO]- 271.118711 187.7
[M+Na-2H]- 233.079526 152.8
[M]+ 212.10431142 151.5
[M]- 212.10540858 151.5
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.