CID 110389

Deca-1,3,5,7,9-pentaene

Structural Information

Molecular Formula
C10H12
SMILES
C=CC=CC=CC=CC=C
InChI
InChI=1S/C10H12/c1-3-5-7-9-10-8-6-4-2/h3-10H,1-2H2
InChIKey
XKWRJEBRBGIQBA-UHFFFAOYSA-N
Compound name
deca-1,3,5,7,9-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

116
Patents

132.0939 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.101176 128.8
[M+Na]+ 155.083118 136.2
[M-H]- 131.086624 128.8
[M+NH4]+ 150.127723 151.1
[M+K]+ 171.057058 132.1
[M+H-H2O]+ 115.091160 124.6
[M+HCOO]- 177.092101 152.4
[M+CH3COO]- 191.107751 172.9
[M+Na-2H]- 153.068566 134.3
[M]+ 132.09335142 128.0
[M]- 132.09444858 128.0
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