CID 453455

Azido-acyclo-u

Structural Information

Molecular Formula
C8H11N5O4
SMILES
C1=CN(C(=O)NC1=O)COC(CN=[N+]=[N-])CO
InChI
InChI=1S/C8H11N5O4/c9-12-10-3-6(4-14)17-5-13-2-1-7(15)11-8(13)16/h1-2,6,14H,3-5H2,(H,11,15,16)
InChIKey
PCCNSOXWTVZXQQ-UHFFFAOYSA-N
Compound name
1-[(1-azido-3-hydroxypropan-2-yl)oxymethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0811 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08838 146.1
[M+Na]+ 264.07032 153.2
[M-H]- 240.07382 147.6
[M+NH4]+ 259.11492 159.5
[M+K]+ 280.04426 146.3
[M+H-H2O]+ 224.07836 142.2
[M+HCOO]- 286.07930 172.4
[M+CH3COO]- 300.09495 187.8
[M+Na-2H]- 262.05577 156.0
[M]+ 241.08055 144.8
[M]- 241.08165 144.8
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.