CID 12217804

3-(prop-1-en-2-yl)pyridine

Structural Information

Molecular Formula
C8H9N
SMILES
CC(=C)C1=CN=CC=C1
InChI
InChI=1S/C8H9N/c1-7(2)8-4-3-5-9-6-8/h3-6H,1H2,2H3
InChIKey
WWDWPSQOAUMNDT-UHFFFAOYSA-N
Compound name
3-prop-1-en-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

516
Patents

119.0735 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08078 122.2
[M+Na]+ 142.06272 130.2
[M-H]- 118.06622 124.6
[M+NH4]+ 137.10732 143.3
[M+K]+ 158.03666 128.4
[M+H-H2O]+ 102.07076 116.2
[M+HCOO]- 164.07170 145.1
[M+CH3COO]- 178.08735 171.0
[M+Na-2H]- 140.04817 130.0
[M]+ 119.07295 121.0
[M]- 119.07405 121.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe