CID 4168689

6-oxo-15-hexadecenoic acid

Structural Information

Molecular Formula
C16H28O3
SMILES
C=CCCCCCCCCC(=O)CCCCC(=O)O
InChI
InChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-12-15(17)13-10-11-14-16(18)19/h2H,1,3-14H2,(H,18,19)
InChIKey
USQSWHMDEPIEEL-UHFFFAOYSA-N
Compound name
6-oxohexadec-15-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

268.20386 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.21114 169.7
[M+Na]+ 291.19308 176.7
[M+NH4]+ 286.23768 174.2
[M+K]+ 307.16702 170.6
[M-H]- 267.19658 166.6
[M+Na-2H]- 289.17853 169.1
[M]+ 268.20331 169.2
[M]- 268.20441 169.2
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