CID 83625

19916-89-3

Structural Information

Molecular Formula
C8H10N
SMILES
C[N+]1=CC=CC=C1C=C
InChI
InChI=1S/C8H10N/c1-3-8-6-4-5-7-9(8)2/h3-7H,1H2,2H3/q+1
InChIKey
DTJIKSRARSRPBU-UHFFFAOYSA-N
Compound name
2-ethenyl-1-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1428
Patents

120.08132 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.088596 122.4
[M+Na]+ 143.070538 131.6
[M-H]- 119.074044 125.4
[M+NH4]+ 138.115143 143.7
[M+K]+ 159.044478 124.1
[M+H-H2O]+ 103.078580 119.5
[M+HCOO]- 165.079521 146.0
[M+CH3COO]- 179.095171 164.7
[M+Na-2H]- 141.055986 132.9
[M]+ 120.08077142 121.0
[M]- 120.08186858 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