CID 145913484

2377031-02-0

Structural Information

Molecular Formula
C9H14O4
SMILES
COC(=O)C12CCC(C1)(OC2)CO
InChI
InChI=1S/C9H14O4/c1-12-7(11)8-2-3-9(4-8,5-10)13-6-8/h10H,2-6H2,1H3
InChIKey
XPZKBRNIOBQAQW-UHFFFAOYSA-N
Compound name
methyl 1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0892 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 139.9
[M+Na]+ 209.078418 147.3
[M-H]- 185.081924 142.1
[M+NH4]+ 204.123023 166.4
[M+K]+ 225.052358 147.3
[M+H-H2O]+ 169.086460 137.6
[M+HCOO]- 231.087401 158.7
[M+CH3COO]- 245.103051 175.7
[M+Na-2H]- 207.063866 146.4
[M]+ 186.08865142 141.6
[M]- 186.08974858 141.6
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.