CID 3024771

Dtxsid801247728

Structural Information

Molecular Formula
C16H23N
SMILES
CC=C(CCC=C(C)C)CCC1=CC=CC=N1
InChI
InChI=1S/C16H23N/c1-4-15(9-7-8-14(2)3)11-12-16-10-5-6-13-17-16/h4-6,8,10,13H,7,9,11-12H2,1-3H3
InChIKey
NOJMLDMONYOFDF-UHFFFAOYSA-N
Compound name
2-(3-ethylidene-7-methyloct-6-enyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.18304 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.190316 158.6
[M+Na]+ 252.172258 163.4
[M-H]- 228.175764 159.7
[M+NH4]+ 247.216863 175.3
[M+K]+ 268.146198 159.3
[M+H-H2O]+ 212.180300 151.2
[M+HCOO]- 274.181241 178.0
[M+CH3COO]- 288.196891 193.8
[M+Na-2H]- 250.157706 160.8
[M]+ 229.18249142 158.8
[M]- 229.18358858 158.8
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.