CID 91150

24238-82-2

Structural Information

Molecular Formula
C13H22
SMILES
CC(=CCCC(=CCCC=C)C)C
InChI
InChI=1S/C13H22/c1-5-6-7-10-13(4)11-8-9-12(2)3/h5,9-10H,1,6-8,11H2,2-4H3
InChIKey
VHIVJUNIYOCPSI-UHFFFAOYSA-N
Compound name
6,10-dimethylundeca-1,5,9-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

351
Patents

178.17215 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.17943 146.7
[M+Na]+ 201.16137 151.7
[M-H]- 177.16487 146.2
[M+NH4]+ 196.20597 167.0
[M+K]+ 217.13531 148.8
[M+H-H2O]+ 161.16941 141.8
[M+HCOO]- 223.17035 166.9
[M+CH3COO]- 237.18600 186.1
[M+Na-2H]- 199.14682 147.8
[M]+ 178.17160 147.1
[M]- 178.17270 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe