CID 54536923

Heptadeca-2,5,8,11-tetraene

Structural Information

Molecular Formula
C17H28
SMILES
CCCCCC=CCC=CCC=CCC=CC
InChI
InChI=1S/C17H28/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,5,9,11-12,14-15,17H,4,6-8,10,13,16H2,1-2H3
InChIKey
OSSHSAGSPZTHQL-UHFFFAOYSA-N
Compound name
heptadeca-2,5,8,11-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

232.2191 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.226376 162.7
[M+Na]+ 255.208318 166.9
[M-H]- 231.211824 161.3
[M+NH4]+ 250.252923 181.1
[M+K]+ 271.182258 161.5
[M+H-H2O]+ 215.216360 157.0
[M+HCOO]- 277.217301 183.8
[M+CH3COO]- 291.232951 194.5
[M+Na-2H]- 253.193766 164.2
[M]+ 232.21855142 165.1
[M]- 232.21964858 165.1
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

patents stripe