CID 6441027

Einecs 253-955-2

Structural Information

Molecular Formula
C17H25N
SMILES
CC(C/C=C(\C)/CCC=C(C)C)C1=CC=NC=C1
InChI
InChI=1S/C17H25N/c1-14(2)6-5-7-15(3)8-9-16(4)17-10-12-18-13-11-17/h6,8,10-13,16H,5,7,9H2,1-4H3/b15-8+
InChIKey
KULYGLRIZQIANR-OVCLIPMQSA-N
Compound name
4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

243.1987 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20598 163.2
[M+Na]+ 266.18792 167.2
[M-H]- 242.19142 164.1
[M+NH4]+ 261.23252 179.2
[M+K]+ 282.16186 163.4
[M+H-H2O]+ 226.19596 155.6
[M+HCOO]- 288.19690 181.2
[M+CH3COO]- 302.21255 197.6
[M+Na-2H]- 264.17337 163.5
[M]+ 243.19815 163.1
[M]- 243.19925 163.1
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