CID 61832

Undeca-1,3,5-triene

Structural Information

Molecular Formula
C11H18
SMILES
CCCCCC=CC=CC=C
InChI
InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3
InChIKey
JQQDKNVOSLONRS-UHFFFAOYSA-N
Compound name
undeca-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

3
References

3224
Patents

150.14085 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.14813 136.7
[M+Na]+ 173.13007 143.0
[M-H]- 149.13357 136.4
[M+NH4]+ 168.17467 158.3
[M+K]+ 189.10401 139.9
[M+H-H2O]+ 133.13811 132.1
[M+HCOO]- 195.13905 159.6
[M+CH3COO]- 209.15470 178.5
[M+Na-2H]- 171.11552 141.5
[M]+ 150.14030 137.8
[M]- 150.14140 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe