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 141.3
[M+Na]+ 221.07842 146.6
[M-H]- 197.08192 138.8
[M+NH4]+ 216.12302 167.2
[M+K]+ 237.05236 146.7
[M+H-H2O]+ 181.08646 136.9
[M+HCOO]- 243.08740 152.1
[M+CH3COO]- 257.10305 185.7
[M+Na-2H]- 219.06387 154.7
[M]+ 198.08865 145.5
[M]- 198.08975 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.