CID 5364412

519002-96-1

Structural Information

Molecular Formula
C19H36O
SMILES
CCCC/C=C\CCCCCCCC/C=C\C(C)CO
InChI
InChI=1S/C19H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)18-20/h6-7,16-17,19-20H,3-5,8-15,18H2,1-2H3/b7-6-,17-16-
InChIKey
ZIOOKYHAOBSYOH-DNNFRFAMSA-N
Compound name
(3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

280.2766 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.283876 179.5
[M+Na]+ 303.265818 181.5
[M-H]- 279.269324 176.2
[M+NH4]+ 298.310423 195.1
[M+K]+ 319.239758 176.7
[M+H-H2O]+ 263.273860 173.2
[M+HCOO]- 325.274801 197.2
[M+CH3COO]- 339.290451 203.4
[M+Na-2H]- 301.251266 177.9
[M]+ 280.27605142 183.1
[M]- 280.27714858 183.1
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