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-nitropyridin-4-yl)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]+ 212.06659 140.8
[M+Na]+ 234.04853 147.4
[M-H]- 210.05203 143.5
[M+NH4]+ 229.09313 157.0
[M+K]+ 250.02247 142.7
[M+H-H2O]+ 194.05657 138.2
[M+HCOO]- 256.05751 166.3
[M+CH3COO]- 270.07316 180.6
[M+Na-2H]- 232.03398 149.4
[M]+ 211.05876 140.5
[M]- 211.05986 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.