CID 112080

1,4,9-decatriene

Structural Information

Molecular Formula
C10H16
SMILES
C=CCCCC=CCC=C
InChI
InChI=1S/C10H16/c1-3-5-7-9-10-8-6-4-2/h3-4,7,9H,1-2,5-6,8,10H2
InChIKey
TVEFFNLPYIEDLS-UHFFFAOYSA-N
Compound name
deca-1,4,9-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1334
Patents

136.1252 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 131.9
[M+Na]+ 159.11442 138.5
[M-H]- 135.11792 131.8
[M+NH4]+ 154.15902 154.0
[M+K]+ 175.08836 135.7
[M+H-H2O]+ 119.12246 127.5
[M+HCOO]- 181.12340 155.1
[M+CH3COO]- 195.13905 176.1
[M+Na-2H]- 157.09987 137.2
[M]+ 136.12465 132.6
[M]- 136.12575 132.6
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