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 170.4
[M+Na]+ 291.19308 173.4
[M-H]- 267.19658 167.5
[M+NH4]+ 286.23768 185.9
[M+K]+ 307.16702 170.1
[M+H-H2O]+ 251.20112 164.2
[M+HCOO]- 313.20206 188.7
[M+CH3COO]- 327.21771 199.5
[M+Na-2H]- 289.17853 169.2
[M]+ 268.20331 174.5
[M]- 268.20441 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