CID 6366219

Einecs 298-021-5

Structural Information

Molecular Formula
C18H27N
SMILES
CCC1=CN=C(C=C1)CC(C)C(C)/C=C/C=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/b9-7+
InChIKey
DJDVIJAODODGPC-VQHVLOKHSA-N
Compound name
5-ethyl-2-[(4E)-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 167.6
[M+Na]+ 280.20358 179.0
[M+NH4]+ 275.24818 174.7
[M+K]+ 296.17752 171.5
[M-H]- 256.20708 168.8
[M+Na-2H]- 278.18903 172.1
[M]+ 257.21381 169.5
[M]- 257.21491 169.5
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.