CID 131295061

Methyl 3-hydroxybicyclo[1.1.1]pentane-1-carboxylate

Structural Information

Molecular Formula
C7H10O3
SMILES
COC(=O)C12CC(C1)(C2)O
InChI
InChI=1S/C7H10O3/c1-10-5(8)6-2-7(9,3-6)4-6/h9H,2-4H2,1H3
InChIKey
RAUBVFRZOUPDOQ-UHFFFAOYSA-N
Compound name
methyl 3-hydroxybicyclo[1.1.1]pentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.06299 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 147.8
[M+Na]+ 165.05221 151.6
[M-H]- 141.05571 150.3
[M+NH4]+ 160.09681 154.4
[M+K]+ 181.02615 157.8
[M+H-H2O]+ 125.06025 135.8
[M+HCOO]- 187.06119 160.0
[M+CH3COO]- 201.07684 201.5
[M+Na-2H]- 163.03766 154.3
[M]+ 142.06244 173.0
[M]- 142.06354 173.0
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.