CID 567514

Sodium 3-methyl-2-oxo-1-oxaspiro(4.5)decane-4-carboxylate

Structural Information

Molecular Formula
C11H16O4
SMILES
CC1C(C2(CCCCC2)OC1=O)C(=O)O
InChI
InChI=1S/C11H16O4/c1-7-8(9(12)13)11(15-10(7)14)5-3-2-4-6-11/h7-8H,2-6H2,1H3,(H,12,13)
InChIKey
KQQVCWVGEDINRY-UHFFFAOYSA-N
Compound name
3-methyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

212.10486 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 147.0
[M+Na]+ 235.09408 155.4
[M+NH4]+ 230.13868 155.6
[M+K]+ 251.06802 151.6
[M-H]- 211.09758 148.8
[M+Na-2H]- 233.07953 150.0
[M]+ 212.10431 148.4
[M]- 212.10541 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

patents stripe