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]+ 187.09648 139.9
[M+Na]+ 209.07842 147.3
[M-H]- 185.08192 142.1
[M+NH4]+ 204.12302 166.4
[M+K]+ 225.05236 147.3
[M+H-H2O]+ 169.08646 137.6
[M+HCOO]- 231.08740 158.7
[M+CH3COO]- 245.10305 175.7
[M+Na-2H]- 207.06387 146.4
[M]+ 186.08865 141.6
[M]- 186.08975 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.