CID 5282274

4z,7z,10z-octadecatrienenitrile

Structural Information

Molecular Formula
C18H29N
SMILES
CCCCCCC/C=C\C/C=C\C/C=C\CCC#N
InChI
InChI=1S/C18H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h8-9,11-12,14-15H,2-7,10,13,16-17H2,1H3/b9-8-,12-11-,15-14-
InChIKey
IZQMXCVZGSWCLH-ORZIMQNZSA-N
Compound name
(4Z,7Z,10Z)-octadeca-4,7,10-trienenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.23 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.23728 164.2
[M+Na]+ 282.21922 170.1
[M-H]- 258.22272 163.5
[M+NH4]+ 277.26382 179.9
[M+K]+ 298.19316 164.8
[M+H-H2O]+ 242.22726 151.8
[M+HCOO]- 304.22820 181.8
[M+CH3COO]- 318.24385 210.5
[M+Na-2H]- 280.20467 165.7
[M]+ 259.22945 162.7
[M]- 259.23055 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.