CID 165652112

2751611-40-0

Structural Information

Molecular Formula
C9H14O4
SMILES
C1COCCC12CC(C2)(C(=O)O)O
InChI
InChI=1S/C9H14O4/c10-7(11)9(12)5-8(6-9)1-3-13-4-2-8/h12H,1-6H2,(H,10,11)
InChIKey
BOUFEQJOYSVVQP-UHFFFAOYSA-N
Compound name
2-hydroxy-7-oxaspiro[3.5]nonane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0892 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 137.2
[M+Na]+ 209.078418 141.2
[M-H]- 185.081924 140.5
[M+NH4]+ 204.123023 151.5
[M+K]+ 225.052358 144.3
[M+H-H2O]+ 169.086460 128.8
[M+HCOO]- 231.087401 151.7
[M+CH3COO]- 245.103051 177.0
[M+Na-2H]- 207.063866 143.8
[M]+ 186.08865142 141.5
[M]- 186.08974858 141.5
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.