CID 155894926

Methyl 1-formyl-2-oxabicyclo[2.2.2]octane-4-carboxylate

Structural Information

Molecular Formula
C10H14O4
SMILES
COC(=O)C12CCC(CC1)(OC2)C=O
InChI
InChI=1S/C10H14O4/c1-13-8(12)9-2-4-10(6-11,5-3-9)14-7-9/h6H,2-5,7H2,1H3
InChIKey
TWZDLUXMPODCOG-UHFFFAOYSA-N
Compound name
methyl 1-formyl-2-oxabicyclo[2.2.2]octane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0892 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09648 143.2
[M+Na]+ 221.07842 152.0
[M+NH4]+ 216.12302 155.3
[M+K]+ 237.05236 143.0
[M-H]- 197.08192 141.3
[M+Na-2H]- 219.06387 142.8
[M]+ 198.08865 144.0
[M]- 198.08975 144.0
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

No patent data available for this compound.