CID 12999987

7300-28-9

Structural Information

Molecular Formula
C8H9N
SMILES
C=CCC1=CN=CC=C1
InChI
InChI=1S/C8H9N/c1-2-4-8-5-3-6-9-7-8/h2-3,5-7H,1,4H2
InChIKey
LOJXZAFBAAKKJG-UHFFFAOYSA-N
Compound name
3-prop-2-enylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

434
Patents

119.0735 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08078 123.4
[M+Na]+ 142.06272 137.5
[M+NH4]+ 137.10732 132.8
[M+K]+ 158.03666 129.7
[M-H]- 118.06622 125.8
[M+Na-2H]- 140.04817 132.0
[M]+ 119.07295 126.1
[M]- 119.07405 126.1
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