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

12
Patents

142.06299 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.070266 147.8
[M+Na]+ 165.052208 151.6
[M-H]- 141.055714 150.3
[M+NH4]+ 160.096813 154.4
[M+K]+ 181.026148 157.8
[M+H-H2O]+ 125.060250 135.8
[M+HCOO]- 187.061191 160.0
[M+CH3COO]- 201.076841 201.5
[M+Na-2H]- 163.037656 154.3
[M]+ 142.06244142 173.0
[M]- 142.06353858 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

patents stripe