CID 56936139

3z,6z,9z,11e-nonadecatetraene

Structural Information

Molecular Formula
C19H32
SMILES
CCCCCCC/C=C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C19H32/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h5,7,11,13,16-19H,3-4,6,8-10,12,14-15H2,1-2H3/b7-5-,13-11-,18-16+,19-17-
InChIKey
OVZCIKHRKAWMCA-UZIQFIOISA-N
Compound name
(3Z,6Z,9Z,11E)-nonadeca-3,6,9,11-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.2504 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.25768 171.6
[M+Na]+ 283.23962 175.1
[M-H]- 259.24312 169.9
[M+NH4]+ 278.28422 188.9
[M+K]+ 299.21356 169.1
[M+H-H2O]+ 243.24766 165.5
[M+HCOO]- 305.24860 192.1
[M+CH3COO]- 319.26425 200.6
[M+Na-2H]- 281.22507 172.1
[M]+ 260.24985 174.9
[M]- 260.25095 174.9
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