CID 453456

Azido-acyclo-6-aza-t

Structural Information

Molecular Formula
C8H12N6O4
SMILES
CC1=NN(C(=O)NC1=O)COC(CN=[N+]=[N-])CO
InChI
InChI=1S/C8H12N6O4/c1-5-7(16)11-8(17)14(12-5)4-18-6(3-15)2-10-13-9/h6,15H,2-4H2,1H3,(H,11,16,17)
InChIKey
FCAIYPVGRUOYTE-UHFFFAOYSA-N
Compound name
2-[(1-azido-3-hydroxypropan-2-yl)oxymethyl]-6-methyl-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.092 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09928 150.9
[M+Na]+ 279.08122 158.9
[M-H]- 255.08472 151.5
[M+NH4]+ 274.12582 162.7
[M+K]+ 295.05516 151.7
[M+H-H2O]+ 239.08926 146.5
[M+HCOO]- 301.09020 175.8
[M+CH3COO]- 315.10585 192.0
[M+Na-2H]- 277.06667 160.4
[M]+ 256.09145 150.4
[M]- 256.09255 150.4
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.