CID 460104

Nsc363424

Structural Information

Molecular Formula
C7H9N5O3
SMILES
C1=CN(C(=O)NC1=O)COCCN=[N+]=[N-]
InChI
InChI=1S/C7H9N5O3/c8-11-9-2-4-15-5-12-3-1-6(13)10-7(12)14/h1,3H,2,4-5H2,(H,10,13,14)
InChIKey
ZUGZNKLWJYVCRW-UHFFFAOYSA-N
Compound name
1-(2-azidoethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07054 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07782 139.0
[M+Na]+ 234.05976 147.4
[M-H]- 210.06326 141.9
[M+NH4]+ 229.10436 154.6
[M+K]+ 250.03370 140.7
[M+H-H2O]+ 194.06780 135.2
[M+HCOO]- 256.06874 167.9
[M+CH3COO]- 270.08439 184.6
[M+Na-2H]- 232.04521 150.8
[M]+ 211.06999 138.6
[M]- 211.07109 138.6
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

No patent data available for this compound.