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

297
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

literature stripe

Patent stripe

patents stripe