CID 14824984

7-ethyl-3,5-dimethyl-2e,4e,6e,8e-undecatetraene

Structural Information

Molecular Formula
C15H24
SMILES
CC/C=C/C(=C/C(=C/C(=C/C)/C)/C)/CC
InChI
InChI=1S/C15H24/c1-6-9-10-15(8-3)12-14(5)11-13(4)7-2/h7,9-12H,6,8H2,1-5H3/b10-9+,13-7+,14-11+,15-12+
InChIKey
QKGBXJCVBMNDMR-VBPLKGSMSA-N
Compound name
(2E,4E,6E,8E)-7-ethyl-3,5-dimethylundeca-2,4,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.1878 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 154.3
[M+Na]+ 227.17702 158.8
[M-H]- 203.18052 153.7
[M+NH4]+ 222.22162 173.7
[M+K]+ 243.15096 155.3
[M+H-H2O]+ 187.18506 149.4
[M+HCOO]- 249.18600 173.2
[M+CH3COO]- 263.20165 190.7
[M+Na-2H]- 225.16247 153.2
[M]+ 204.18725 154.1
[M]- 204.18835 154.1
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