CID 453457

Azido-acyclo-6-aza-u

Structural Information

Molecular Formula
C7H10N6O4
SMILES
C1=NN(C(=O)NC1=O)COC(CN=[N+]=[N-])CO
InChI
InChI=1S/C7H10N6O4/c8-12-9-1-5(3-14)17-4-13-7(16)11-6(15)2-10-13/h2,5,14H,1,3-4H2,(H,11,15,16)
InChIKey
VOHBRFLWJVUUNI-UHFFFAOYSA-N
Compound name
2-[(1-azido-3-hydroxypropan-2-yl)oxymethyl]-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07635 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08363 145.6
[M+Na]+ 265.06557 153.1
[M-H]- 241.06907 146.0
[M+NH4]+ 260.11017 157.7
[M+K]+ 281.03951 146.2
[M+H-H2O]+ 225.07361 141.2
[M+HCOO]- 287.07455 170.9
[M+CH3COO]- 301.09020 187.8
[M+Na-2H]- 263.05102 156.4
[M]+ 242.07580 144.4
[M]- 242.07690 144.4
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.