CID 6437990

Einecs 274-883-8

Structural Information

Molecular Formula
C18H25N
SMILES
C/C=C/CC(C1=CC=NC=C1)(C/C=C/C)C/C=C/C
InChI
InChI=1S/C18H25N/c1-4-7-12-18(13-8-5-2,14-9-6-3)17-10-15-19-16-11-17/h4-11,15-16H,12-14H2,1-3H3/b7-4+,8-5+,9-6+
InChIKey
IZDCTQDGYOSQRY-OTWDQPKHSA-N
Compound name
4-[(2E,7E)-5-[(E)-but-2-enyl]nona-2,7-dien-5-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

255.1987 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.205976 166.3
[M+Na]+ 278.187918 171.5
[M-H]- 254.191424 167.2
[M+NH4]+ 273.232523 182.2
[M+K]+ 294.161858 165.9
[M+H-H2O]+ 238.195960 159.0
[M+HCOO]- 300.196901 185.6
[M+CH3COO]- 314.212551 197.0
[M+Na-2H]- 276.173366 170.4
[M]+ 255.19815142 167.2
[M]- 255.19924858 167.2
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