CID 548871

Nonadeca-1,3,14,16-tetraene

Structural Information

Molecular Formula
C19H32
SMILES
CCC=CC=CCCCCCCCCCC=CC=C
InChI
InChI=1S/C19H32/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3,5-8,10,12H,1,4,9,11,13-19H2,2H3
InChIKey
YOXPHYCVBKZAGE-UHFFFAOYSA-N
Compound name
nonadeca-1,3,14,16-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.