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
1
Annotation Hits

0
References

5
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 166.3
[M+Na]+ 278.18792 171.5
[M-H]- 254.19142 167.2
[M+NH4]+ 273.23252 182.2
[M+K]+ 294.16186 165.9
[M+H-H2O]+ 238.19596 159.0
[M+HCOO]- 300.19690 185.6
[M+CH3COO]- 314.21255 197.0
[M+Na-2H]- 276.17337 170.4
[M]+ 255.19815 167.2
[M]- 255.19925 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