CID 22026245

254900-07-7

Structural Information

Molecular Formula
C12H14O4
SMILES
CC(=C)C(=O)OC1C2CC3C1OC(=O)C3C2
InChI
InChI=1S/C12H14O4/c1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9/h6-10H,1,3-4H2,2H3
InChIKey
JJMQLQLMPJLIPZ-UHFFFAOYSA-N
Compound name
(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1774
Patents

222.0892 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 147.9
[M+Na]+ 245.07842 154.2
[M+NH4]+ 240.12302 155.6
[M+K]+ 261.05236 156.5
[M-H]- 221.08192 146.9
[M+Na-2H]- 243.06387 144.2
[M]+ 222.08865 148.0
[M]- 222.08975 148.0
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

patents stripe