CID 20981462

Deca-1,4-diene

Structural Information

Molecular Formula
C10H18
SMILES
CCCCCC=CCC=C
InChI
InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3,7,9H,1,4-6,8,10H2,2H3
InChIKey
PIJZNCJOLUODIA-UHFFFAOYSA-N
Compound name
deca-1,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

660
Patents

138.14085 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.14813 133.7
[M+Na]+ 161.13007 140.0
[M-H]- 137.13357 133.4
[M+NH4]+ 156.17467 155.7
[M+K]+ 177.10401 137.7
[M+H-H2O]+ 121.13811 129.1
[M+HCOO]- 183.13905 156.6
[M+CH3COO]- 197.15470 177.1
[M+Na-2H]- 159.11552 138.9
[M]+ 138.14030 135.1
[M]- 138.14140 135.1
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