CID 14656047

3,5,7-trimethyl-2e,4e,6e,8e-undecatetraene

Structural Information

Molecular Formula
C14H22
SMILES
CC/C=C/C(=C/C(=C/C(=C/C)/C)/C)/C
InChI
InChI=1S/C14H22/c1-6-8-9-13(4)11-14(5)10-12(3)7-2/h7-11H,6H2,1-5H3/b9-8+,12-7+,13-11+,14-10+
InChIKey
PEQDBIZKCMKPKU-VTCWLERASA-N
Compound name
(2E,4E,6E,8E)-3,5,7-trimethylundeca-2,4,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

190.17215 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.17943 149.7
[M+Na]+ 213.16137 154.6
[M-H]- 189.16487 149.2
[M+NH4]+ 208.20597 169.6
[M+K]+ 229.13531 151.3
[M+H-H2O]+ 173.16941 144.9
[M+HCOO]- 235.17035 168.8
[M+CH3COO]- 249.18600 187.7
[M+Na-2H]- 211.14682 149.1
[M]+ 190.17160 149.0
[M]- 190.17270 149.0
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