CID 15931626

16-oxo-palmitate

Structural Information

Molecular Formula
C16H30O3
SMILES
C(CCCCCCCC(=O)O)CCCCCCC=O
InChI
InChI=1S/C16H30O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h15H,1-14H2,(H,18,19)
InChIKey
NKVUEIHJDGURIA-UHFFFAOYSA-N
Compound name
16-oxohexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

299
Patents

270.21948 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.22676 171.5
[M+Na]+ 293.20870 174.4
[M-H]- 269.21220 168.5
[M+NH4]+ 288.25330 187.1
[M+K]+ 309.18264 171.3
[M+H-H2O]+ 253.21674 165.1
[M+HCOO]- 315.21768 190.6
[M+CH3COO]- 329.23333 199.6
[M+Na-2H]- 291.19415 171.5
[M]+ 270.21893 176.9
[M]- 270.22003 176.9
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.