CID 11830656

3,7,11-trimethyldodeca-2z,4e-diene

Structural Information

Molecular Formula
C15H28
SMILES
C/C=C(/C)\C=C\CC(C)CCCC(C)C
InChI
InChI=1S/C15H28/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8,10,13,15H,7,9,11-12H2,1-5H3/b10-8+,14-6-
InChIKey
QUFVBBANWSSNQF-CZVXUDSPSA-N
Compound name
(2Z,4E)-3,7,11-trimethyldodeca-2,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

208.2191 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.22638 157.8
[M+Na]+ 231.20832 161.5
[M-H]- 207.21182 157.0
[M+NH4]+ 226.25292 177.0
[M+K]+ 247.18226 159.1
[M+H-H2O]+ 191.21636 152.6
[M+HCOO]- 253.21730 176.2
[M+CH3COO]- 267.23295 193.9
[M+Na-2H]- 229.19377 156.5
[M]+ 208.21855 159.1
[M]- 208.21965 159.1
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

patents stripe