CID 10106262

Chembl442810

Structural Information

Molecular Formula
C16H28O2
SMILES
CC(C)CCC/C=C\CC/C=C\CCCC(=O)O
InChI
InChI=1S/C16H28O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h5-8,15H,3-4,9-14H2,1-2H3,(H,17,18)/b7-5-,8-6-
InChIKey
PKYKYVUOJCITJQ-SFECMWDFSA-N
Compound name
(5Z,9Z)-14-methylpentadeca-5,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

252.20892 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.21620 168.0
[M+Na]+ 275.19814 171.2
[M-H]- 251.20164 165.3
[M+NH4]+ 270.24274 184.5
[M+K]+ 291.17208 167.5
[M+H-H2O]+ 235.20618 162.2
[M+HCOO]- 297.20712 186.1
[M+CH3COO]- 311.22277 196.2
[M+Na-2H]- 273.18359 166.7
[M]+ 252.20837 170.5
[M]- 252.20947 170.5
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