CID 6440707

1,3,6,9-nonadecatetraene, (3z,6z,9z)-

Structural Information

Molecular Formula
C19H32
SMILES
CCCCCCCCC/C=C\C/C=C\C/C=C\C=C
InChI
InChI=1S/C19H32/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3,5,7,11,13,17,19H,1,4,6,8-10,12,14-16,18H2,2H3/b7-5-,13-11-,19-17-
InChIKey
RDRCFYBWAIFESA-JTBMWNAQSA-N
Compound name
(3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

260.2504 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.257676 171.4
[M+Na]+ 283.239618 174.7
[M-H]- 259.243124 169.6
[M+NH4]+ 278.284223 188.6
[M+K]+ 299.213558 168.8
[M+H-H2O]+ 243.247660 165.2
[M+HCOO]- 305.248601 191.8
[M+CH3COO]- 319.264251 201.2
[M+Na-2H]- 281.225066 171.8
[M]+ 260.24985142 174.7
[M]- 260.25094858 174.7
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