CID 6437549

Ns00121024

Structural Information

Molecular Formula
C16H25N
SMILES
CCCCC/C=C/CCC/C=C/C=C/CC#N
InChI
InChI=1S/C16H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h6-7,11-14H,2-5,8-10,15H2,1H3/b7-6+,12-11+,14-13+
InChIKey
DKFZYDUFFFAINA-NYLCCMIJSA-N
Compound name
(3E,5E,10E)-hexadeca-3,5,10-trienenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.1987 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.205976 156.6
[M+Na]+ 254.187918 163.2
[M-H]- 230.191424 156.2
[M+NH4]+ 249.232523 173.3
[M+K]+ 270.161858 158.4
[M+H-H2O]+ 214.195960 144.5
[M+HCOO]- 276.196901 174.8
[M+CH3COO]- 290.212551 205.1
[M+Na-2H]- 252.173366 159.0
[M]+ 231.19815142 154.4
[M]- 231.19924858 154.4
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.