CID 5363398

1,11-tridecadiene

Structural Information

Molecular Formula
C13H24
SMILES
C/C=C/CCCCCCCCC=C
InChI
InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4,6H,1,5,7-13H2,2H3/b6-4+
InChIKey
NJHSLELGHIYEBI-GQCTYLIASA-N
Compound name
(11E)-trideca-1,11-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

180.1878 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.19508 147.5
[M+Na]+ 203.17702 152.5
[M-H]- 179.18052 146.7
[M+NH4]+ 198.22162 167.8
[M+K]+ 219.15096 149.4
[M+H-H2O]+ 163.18506 142.3
[M+HCOO]- 225.18600 169.4
[M+CH3COO]- 239.20165 186.2
[M+Na-2H]- 201.16247 151.0
[M]+ 180.18725 150.0
[M]- 180.18835 150.0
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