CID 3084465

4-ethenyl-1-oxidopyridin-1-ium

Structural Information

Molecular Formula
C7H7NO
SMILES
C=CC1=CC=[N+](C=C1)[O-]
InChI
InChI=1S/C7H7NO/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InChIKey
KRFXUBMJBAXOOZ-UHFFFAOYSA-N
Compound name
4-ethenyl-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5147
Patents

121.052765 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.060041 121.5
[M+Na]+ 144.041983 130.5
[M-H]- 120.045489 122.9
[M+NH4]+ 139.086588 141.8
[M+K]+ 160.015923 123.8
[M+H-H2O]+ 104.050025 120.8
[M+HCOO]- 166.050966 145.0
[M+CH3COO]- 180.066616 160.4
[M+Na-2H]- 142.027431 131.4
[M]+ 121.05221642 118.7
[M]- 121.05331358 118.7
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