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]+ 167.081506 133.1
[M+Na]+ 189.063448 140.5
[M-H]- 165.066954 134.4
[M+NH4]+ 184.108053 151.2
[M+K]+ 205.037388 134.1
[M+H-H2O]+ 149.071490 131.6
[M+HCOO]- 211.072431 156.6
[M+CH3COO]- 225.088081 169.9
[M+Na-2H]- 187.048896 141.7
[M]+ 166.07368142 130.6
[M]- 166.07477858 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

literature stripe

Patent stripe

patents stripe