CID 12860205

64630-63-3

Structural Information

Molecular Formula
C10H14O3
SMILES
C=CC(=O)OCC1CCC2C(C1)O2
InChI
InChI=1S/C10H14O3/c1-2-10(11)12-6-7-3-4-8-9(5-7)13-8/h2,7-9H,1,3-6H2
InChIKey
DPTGFYXXFXSRIR-UHFFFAOYSA-N
Compound name
7-oxabicyclo[4.1.0]heptan-3-ylmethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4758
Patents

182.0943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 139.5
[M+Na]+ 205.08352 151.3
[M+NH4]+ 200.12812 148.2
[M+K]+ 221.05746 147.6
[M-H]- 181.08702 148.5
[M+Na-2H]- 203.06897 144.9
[M]+ 182.09375 144.7
[M]- 182.09485 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe