CID 6442654

3z,6z,9z-nonadecatriene

Structural Information

Molecular Formula
C19H34
SMILES
CCCCCCCCC/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C19H34/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19H,3-4,6,8-10,12,14-16,18H2,1-2H3/b7-5-,13-11-,19-17-
InChIKey
MWNTUKOYEZXHLL-JTBMWNAQSA-N
Compound name
(3Z,6Z,9Z)-nonadeca-3,6,9-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
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

patents stripe