CID 88987077

3-(ethylcarbamoyl)pyridine 1-oxide

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CCNC(=O)C1=C[N+](=CC=C1)[O-]
InChI
InChI=1S/C8H10N2O2/c1-2-9-8(11)7-4-3-5-10(12)6-7/h3-6H,2H2,1H3,(H,9,11)
InChIKey
SAVLXRIBLGVLCH-UHFFFAOYSA-N
Compound name
N-ethyl-1-oxidopyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

166.07423 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 133.1
[M+Na]+ 189.06345 140.5
[M-H]- 165.06695 134.4
[M+NH4]+ 184.10805 151.2
[M+K]+ 205.03739 134.1
[M+H-H2O]+ 149.07149 131.6
[M+HCOO]- 211.07243 156.6
[M+CH3COO]- 225.08808 169.9
[M+Na-2H]- 187.04890 141.7
[M]+ 166.07368 130.6
[M]- 166.07478 130.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe