CID 6443227

(3e,7e)-4,8,12-trimethyltrideca-1,3,7,11-tetraene

Structural Information

Molecular Formula
C16H26
SMILES
CC(=CCC/C(=C/CC/C(=C/C=C)/C)/C)C
InChI
InChI=1S/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,13H,1,7-8,11-12H2,2-5H3/b15-9+,16-13+
InChIKey
CWLVBFJCJXHUCF-RNPYNJAESA-N
Compound name
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

473
Patents

218.20345 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.21073 158.8
[M+Na]+ 241.19267 162.8
[M-H]- 217.19617 157.9
[M+NH4]+ 236.23727 177.6
[M+K]+ 257.16661 158.9
[M+H-H2O]+ 201.20071 153.6
[M+HCOO]- 263.20165 177.3
[M+CH3COO]- 277.21730 194.4
[M+Na-2H]- 239.17812 157.1
[M]+ 218.20290 159.0
[M]- 218.20400 159.0
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