CID 22170

1,11-dodecadiene

Structural Information

Molecular Formula
C12H22
SMILES
C=CCCCCCCCCC=C
InChI
InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4H,1-2,5-12H2
InChIKey
IYPLTVKTLDQUGG-UHFFFAOYSA-N
Compound name
dodeca-1,11-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5094
Patents

166.17215 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.17943 142.7
[M+Na]+ 189.16137 148.0
[M-H]- 165.16487 142.0
[M+NH4]+ 184.20597 163.5
[M+K]+ 205.13531 145.2
[M+H-H2O]+ 149.16941 137.6
[M+HCOO]- 211.17035 164.9
[M+CH3COO]- 225.18600 183.8
[M+Na-2H]- 187.14682 146.8
[M]+ 166.17160 144.9
[M]- 166.17270 144.9
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