CID 56936061

3,7,11-trimethyl-1,3e,6e,10-dodecatetraene

Structural Information

Molecular Formula
C15H26
SMILES
CC/C(=C/C/C=C(\C)/CCC=C(C)C)/C
InChI
InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h9-10,12H,6-8,11H2,1-5H3/b14-10+,15-12+
InChIKey
XXPKIRJTDVKKCK-VDQVFBMKSA-N
Compound name
(6E,9E)-2,6,10-trimethyldodeca-2,6,9-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.