CID 22026245

2-oxohexahydro-2h-3,5-methanocyclopenta[b]furan-6-yl methacrylate

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

1871
Patents

222.0892 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.096476 151.4
[M+Na]+ 245.078418 158.7
[M-H]- 221.081924 155.3
[M+NH4]+ 240.123023 176.4
[M+K]+ 261.052358 157.9
[M+H-H2O]+ 205.086460 149.5
[M+HCOO]- 267.087401 169.0
[M+CH3COO]- 281.103051 190.7
[M+Na-2H]- 243.063866 150.9
[M]+ 222.08865142 154.2
[M]- 222.08974858 154.2
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