CID 3022281

5-ethyl-2-(2,3,7-trimethyl-4,6-octadien-1-yl)pyridine

Structural Information

Molecular Formula
C18H27N
SMILES
CCC1=CN=C(C=C1)CC(C)C(C)C=CC=C(C)C
InChI
InChI=1S/C18H27N/c1-6-17-10-11-18(19-13-17)12-16(5)15(4)9-7-8-14(2)3/h7-11,13,15-16H,6,12H2,1-5H3
InChIKey
DJDVIJAODODGPC-UHFFFAOYSA-N
Compound name
5-ethyl-2-(2,3,7-trimethylocta-4,6-dienyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.21436 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.22164 166.7
[M+Na]+ 280.20358 171.3
[M-H]- 256.20708 167.9
[M+NH4]+ 275.24818 182.6
[M+K]+ 296.17752 167.3
[M+H-H2O]+ 240.21162 159.3
[M+HCOO]- 302.21256 184.5
[M+CH3COO]- 316.22821 201.7
[M+Na-2H]- 278.18903 165.9
[M]+ 257.21381 167.4
[M]- 257.21491 167.4
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.