CID 20981479

Deca-3,7-diene

Structural Information

Molecular Formula
C10H18
SMILES
CCC=CCCC=CCC
InChI
InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKey
LCSLWNXVIDKVGD-UHFFFAOYSA-N
Compound name
deca-3,7-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

473
Patents

138.14085 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.14813 133.9
[M+Na]+ 161.13007 140.2
[M-H]- 137.13357 133.7
[M+NH4]+ 156.17467 156.0
[M+K]+ 177.10401 138.0
[M+H-H2O]+ 121.13811 129.3
[M+HCOO]- 183.13905 156.8
[M+CH3COO]- 197.15470 176.4
[M+Na-2H]- 159.11552 139.1
[M]+ 138.14030 135.2
[M]- 138.14140 135.2
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