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]+ 269.211136 170.4
[M+Na]+ 291.193078 173.4
[M-H]- 267.196584 167.5
[M+NH4]+ 286.237683 185.9
[M+K]+ 307.167018 170.1
[M+H-H2O]+ 251.201120 164.2
[M+HCOO]- 313.202061 188.7
[M+CH3COO]- 327.217711 199.5
[M+Na-2H]- 289.178526 169.2
[M]+ 268.20331142 174.5
[M]- 268.20440858 174.5
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

patents stripe