CID 82398292

2-oxaspiro[5.5]undecane-5-carboxylic acid

Structural Information

Molecular Formula
C11H18O3
SMILES
C1CCC2(CC1)COCCC2C(=O)O
InChI
InChI=1S/C11H18O3/c12-10(13)9-4-7-14-8-11(9)5-2-1-3-6-11/h9H,1-8H2,(H,12,13)
InChIKey
LRAWSGKSYHZRJU-UHFFFAOYSA-N
Compound name
2-oxaspiro[5.5]undecane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1256 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 146.3
[M+Na]+ 221.11482 155.5
[M+NH4]+ 216.15942 156.1
[M+K]+ 237.08876 148.7
[M-H]- 197.11832 149.6
[M+Na-2H]- 219.10027 151.2
[M]+ 198.12505 148.4
[M]- 198.12615 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.