CID 79904011

1-oxaspiro[5.5]undecane-4-carboxylic acid

Structural Information

Molecular Formula
C11H18O3
SMILES
C1CCC2(CC1)CC(CCO2)C(=O)O
InChI
InChI=1S/C11H18O3/c12-10(13)9-4-7-14-11(8-9)5-2-1-3-6-11/h9H,1-8H2,(H,12,13)
InChIKey
XQUCUBBLGUDQKZ-UHFFFAOYSA-N
Compound name
1-oxaspiro[5.5]undecane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1256 Da
Monoisotopic Mass

1.7
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.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.