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]+ 199.096476 141.3
[M+Na]+ 221.078418 146.6
[M-H]- 197.081924 138.8
[M+NH4]+ 216.123023 167.2
[M+K]+ 237.052358 146.7
[M+H-H2O]+ 181.086460 136.9
[M+HCOO]- 243.087401 152.1
[M+CH3COO]- 257.103051 185.7
[M+Na-2H]- 219.063866 154.7
[M]+ 198.08865142 145.5
[M]- 198.08974858 145.5
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.