CID 122491

Undeca-1,3,5,8-tetraene

Structural Information

Molecular Formula
C11H16
SMILES
CCC=CCC=CC=CC=C
InChI
InChI=1S/C11H16/c1-3-5-7-9-11-10-8-6-4-2/h3,5-9,11H,1,4,10H2,2H3
InChIKey
JXRWPVZILDJGFO-UHFFFAOYSA-N
Compound name
undeca-1,3,5,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

148.1252 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.13248 135.2
[M+Na]+ 171.11442 141.8
[M-H]- 147.11792 135.0
[M+NH4]+ 166.15902 156.9
[M+K]+ 187.08836 138.1
[M+H-H2O]+ 131.12246 130.7
[M+HCOO]- 193.12340 158.3
[M+CH3COO]- 207.13905 176.9
[M+Na-2H]- 169.09987 140.0
[M]+ 148.12465 135.4
[M]- 148.12575 135.4
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.