CID 138584497

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

Structural Information

Molecular Formula
C10H16O4
SMILES
COC(=O)C12CCC(CC1)(CO2)CO
InChI
InChI=1S/C10H16O4/c1-13-8(12)10-4-2-9(6-11,3-5-10)7-14-10/h11H,2-7H2,1H3
InChIKey
CPTJWPFBSCOGDF-UHFFFAOYSA-N
Compound name
methyl 4-(hydroxymethyl)-2-oxabicyclo[2.2.2]octane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

200.10486 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 143.9
[M+Na]+ 223.094078 148.5
[M-H]- 199.097584 140.0
[M+NH4]+ 218.138683 169.1
[M+K]+ 239.068018 148.4
[M+H-H2O]+ 183.102120 139.7
[M+HCOO]- 245.103061 153.0
[M+CH3COO]- 259.118711 184.1
[M+Na-2H]- 221.079526 156.8
[M]+ 200.10431142 147.1
[M]- 200.10540858 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

patents stripe