CID 131438670

Methyl 5-hydroxyspiro[2.3]hexane-1-carboxylate

Structural Information

Molecular Formula
C8H12O3
SMILES
COC(=O)C1CC12CC(C2)O
InChI
InChI=1S/C8H12O3/c1-11-7(10)6-4-8(6)2-5(9)3-8/h5-6,9H,2-4H2,1H3
InChIKey
BFKGMKLRLZTVSZ-UHFFFAOYSA-N
Compound name
methyl 5-hydroxyspiro[2.3]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 131.2
[M+Na]+ 179.06786 139.5
[M-H]- 155.07136 137.0
[M+NH4]+ 174.11246 143.0
[M+K]+ 195.04180 141.1
[M+H-H2O]+ 139.07590 122.7
[M+HCOO]- 201.07684 150.8
[M+CH3COO]- 215.09249 180.4
[M+Na-2H]- 177.05331 136.8
[M]+ 156.07809 142.3
[M]- 156.07919 142.3
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.