CID 12793708

(z)-1,5-tridecadiene

Structural Information

Molecular Formula
C13H24
SMILES
CCCCCCC/C=C/CCC=C
InChI
InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,9,11H,1,4-8,10,12-13H2,2H3/b11-9+
InChIKey
ODMNOSMBBUQPGW-PKNBQFBNSA-N
Compound name
(5E)-trideca-1,5-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

180.1878 Da
Monoisotopic Mass

5.8
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

No patent data available for this compound.