CID 82381

10129-44-9

Structural Information

Molecular Formula
C8H10N
SMILES
C=CC[N+]1=CC=CC=C1
InChI
InChI=1S/C8H10N/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2/q+1
InChIKey
FOMKLSHJVADQBT-UHFFFAOYSA-N
Compound name
1-prop-2-enylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

19766
Patents

120.08132 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.088596 123.2
[M+Na]+ 143.070538 131.4
[M-H]- 119.074044 125.8
[M+NH4]+ 138.115143 144.2
[M+K]+ 159.044478 124.0
[M+H-H2O]+ 103.078580 120.0
[M+HCOO]- 165.079521 146.8
[M+CH3COO]- 179.095171 163.7
[M+Na-2H]- 141.055986 134.4
[M]+ 120.08077142 121.5
[M]- 120.08186858 121.5
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