CID 5459291

3,7,11-trimethyl-2e,4e,10-dodecatriene

Structural Information

Molecular Formula
C15H26
SMILES
C/C=C(\C)/C=C/CC(C)CCC=C(C)C
InChI
InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,15H,7,11-12H2,1-5H3/b10-8+,14-6+
InChIKey
GIBJEWOSWWYJSK-CKGOAGCQSA-N
Compound name
(2E,4E)-3,7,11-trimethyldodeca-2,4,10-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

206.20345 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.21073 156.1
[M+Na]+ 229.19267 160.2
[M-H]- 205.19617 155.4
[M+NH4]+ 224.23727 175.4
[M+K]+ 245.16661 157.2
[M+H-H2O]+ 189.20071 151.0
[M+HCOO]- 251.20165 174.7
[M+CH3COO]- 265.21730 192.3
[M+Na-2H]- 227.17812 154.9
[M]+ 206.20290 156.6
[M]- 206.20400 156.6
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