CID 56936137

6z,9z,12z-nonadecatriene

Structural Information

Molecular Formula
C19H34
SMILES
CCCCCC/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C19H34/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19H,3-10,12,15,18H2,1-2H3/b13-11-,16-14-,19-17-
InChIKey
JJWUFROECSXGGK-PNBIJBBKSA-N
Compound name
(6Z,9Z,12Z)-nonadeca-6,9,12-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.26605 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.27333 173.2
[M+Na]+ 285.25527 176.3
[M-H]- 261.25877 171.4
[M+NH4]+ 280.29987 190.4
[M+K]+ 301.22921 170.9
[M+H-H2O]+ 245.26331 167.0
[M+HCOO]- 307.26425 193.4
[M+CH3COO]- 321.27990 202.1
[M+Na-2H]- 283.24072 173.6
[M]+ 262.26550 177.2
[M]- 262.26660 177.2
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

No patent data available for this compound.