CID 6437990

70776-89-5

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
1
Annotation Hits

0
References

2
Patents

255.1987 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.20598 167.5
[M+Na]+ 278.18792 179.3
[M+NH4]+ 273.23252 174.4
[M+K]+ 294.16186 170.2
[M-H]- 254.19142 168.4
[M+Na-2H]- 276.17337 173.1
[M]+ 255.19815 169.4
[M]- 255.19925 169.4
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

patents stripe