CID 564403

90223-38-4

Structural Information

Molecular Formula
C8H9N3O4
SMILES
CCOC(=O)NC1=C(C=NC=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H9N3O4/c1-2-15-8(12)10-6-3-4-9-5-7(6)11(13)14/h3-5H,2H2,1H3,(H,9,10,12)
InChIKey
VENNERPQXXLLRT-UHFFFAOYSA-N
Compound name
ethyl N-(3-nitro-4-pyridinyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

211.05931 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.066586 140.8
[M+Na]+ 234.048528 147.4
[M-H]- 210.052034 143.5
[M+NH4]+ 229.093133 157.0
[M+K]+ 250.022468 142.7
[M+H-H2O]+ 194.056570 138.2
[M+HCOO]- 256.057511 166.3
[M+CH3COO]- 270.073161 180.6
[M+Na-2H]- 232.033976 149.4
[M]+ 211.05876142 140.5
[M]- 211.05985858 140.5
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

No patent data available for this compound.