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]+ 187.09648 137.2
[M+Na]+ 209.07842 141.2
[M-H]- 185.08192 140.5
[M+NH4]+ 204.12302 151.5
[M+K]+ 225.05236 144.3
[M+H-H2O]+ 169.08646 128.8
[M+HCOO]- 231.08740 151.7
[M+CH3COO]- 245.10305 177.0
[M+Na-2H]- 207.06387 143.8
[M]+ 186.08865 141.5
[M]- 186.08975 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.