CID 20200974

4,8,12-trimethyl-1,3e,7e,11-tridecatetraene

Structural Information

Molecular Formula
C16H28
SMILES
CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C16H28/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h9-10,13H,6-8,11-12H2,1-5H3/b15-9+,16-13+
InChIKey
XVIPCWLIFRBCRP-RNPYNJAESA-N
Compound name
(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

220.2191 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.22638 160.8
[M+Na]+ 243.20832 164.4
[M-H]- 219.21182 159.8
[M+NH4]+ 238.25292 179.5
[M+K]+ 259.18226 161.2
[M+H-H2O]+ 203.21636 155.4
[M+HCOO]- 265.21730 179.0
[M+CH3COO]- 279.23295 195.3
[M+Na-2H]- 241.19377 159.0
[M]+ 220.21855 161.6
[M]- 220.21965 161.6
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.