CID 5283466

10z,13z,16z-nonadecatrienenitrile

Structural Information

Molecular Formula
C19H31N
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCCC#N
InChI
InChI=1S/C19H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h3-4,6-7,9-10H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-
InChIKey
LBPYBAZSMDVFNV-PDBXOOCHSA-N
Compound name
(10Z,13Z,16Z)-nonadeca-10,13,16-trienenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.24564 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.25292 168.0
[M+Na]+ 296.23486 173.5
[M-H]- 272.23836 167.2
[M+NH4]+ 291.27946 183.2
[M+K]+ 312.20880 168.0
[M+H-H2O]+ 256.24290 155.4
[M+HCOO]- 318.24384 185.4
[M+CH3COO]- 332.25949 213.2
[M+Na-2H]- 294.22031 169.1
[M]+ 273.24509 166.9
[M]- 273.24619 166.9
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.