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]+ 143.07027 126.8
[M+Na]+ 165.05221 135.1
[M-H]- 141.05571 131.5
[M+NH4]+ 160.09681 138.5
[M+K]+ 181.02615 136.0
[M+H-H2O]+ 125.06025 118.7
[M+HCOO]- 187.06119 145.4
[M+CH3COO]- 201.07684 175.9
[M+Na-2H]- 163.03766 132.5
[M]+ 142.06244 136.0
[M]- 142.06354 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.