CID 3040528

52417-18-2

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 166.0
[M+Na]+ 305.17232 167.7
[M-H]- 281.17582 167.3
[M+NH4]+ 300.21692 180.4
[M+K]+ 321.14626 167.5
[M+H-H2O]+ 265.18036 164.0
[M+HCOO]- 327.18130 178.2
[M+CH3COO]- 341.19695 188.2
[M+Na-2H]- 303.15777 164.6
[M]+ 282.18255 155.1
[M]- 282.18365 155.1
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.