CID 3040528

Sodium 2-oxo-1-oxaspiro(4.11)hexadecane-4-carboxylate

Structural Information

Molecular Formula
C16H26O4
SMILES
C1CCCCCC2(CCCCC1)C(CC(=O)O2)C(=O)O
InChI
InChI=1S/C16H26O4/c17-14-12-13(15(18)19)16(20-14)10-8-6-4-2-1-3-5-7-9-11-16/h13H,1-12H2,(H,18,19)
InChIKey
XHYYKLLYQYFFCD-UHFFFAOYSA-N
Compound name
2-oxo-1-oxaspiro[4.11]hexadecane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1831 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.19038 167.6
[M+Na]+ 305.17232 173.9
[M+NH4]+ 300.21692 174.8
[M+K]+ 321.14626 169.3
[M-H]- 281.17582 169.9
[M+Na-2H]- 303.15777 170.2
[M]+ 282.18255 168.5
[M]- 282.18365 168.5
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.