CID 165999834

Methyl 1-(hydroxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylate

Structural Information

Molecular Formula
C10H16O4
SMILES
COC(=O)C12CCC(CC1)(OC2)CO
InChI
InChI=1S/C10H16O4/c1-13-8(12)9-2-4-10(6-11,5-3-9)14-7-9/h11H,2-7H2,1H3
InChIKey
UFCDMWLEFSSRAC-UHFFFAOYSA-N
Compound name
methyl 1-(hydroxymethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 143.9
[M+Na]+ 223.09408 148.5
[M-H]- 199.09758 140.0
[M+NH4]+ 218.13868 169.1
[M+K]+ 239.06802 148.4
[M+H-H2O]+ 183.10212 139.7
[M+HCOO]- 245.10306 153.0
[M+CH3COO]- 259.11871 184.1
[M+Na-2H]- 221.07953 156.8
[M]+ 200.10431 147.1
[M]- 200.10541 147.1
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.