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

137
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

literature stripe

Patent stripe

patents stripe