CID 82594329

5-hydroxyspiro[2.3]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C7H10O3
SMILES
C1C(CC12CC2C(=O)O)O
InChI
InChI=1S/C7H10O3/c8-4-1-7(2-4)3-5(7)6(9)10/h4-5,8H,1-3H2,(H,9,10)
InChIKey
VRBUBZDHZFDTMY-UHFFFAOYSA-N
Compound name
5-hydroxyspiro[2.3]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.06299 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.070266 126.8
[M+Na]+ 165.052208 135.1
[M-H]- 141.055714 131.5
[M+NH4]+ 160.096813 138.5
[M+K]+ 181.026148 136.0
[M+H-H2O]+ 125.060250 118.7
[M+HCOO]- 187.061191 145.4
[M+CH3COO]- 201.076841 175.9
[M+Na-2H]- 163.037656 132.5
[M]+ 142.06244142 136.0
[M]- 142.06353858 136.0
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.