CID 452171

6-aza-d4t

Structural Information

Molecular Formula
C9H11N3O4
SMILES
CC1=NN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO
InChI
InChI=1S/C9H11N3O4/c1-5-8(14)10-9(15)12(11-5)7-3-2-6(4-13)16-7/h2-3,6-7,13H,4H2,1H3,(H,10,14,15)/t6-,7+/m0/s1
InChIKey
BWOUQJFLMUYENH-NKWVEPMBSA-N
Compound name
2-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-6-methyl-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.07495 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08223 146.0
[M+Na]+ 248.06417 156.8
[M-H]- 224.06767 148.0
[M+NH4]+ 243.10877 159.6
[M+K]+ 264.03811 154.0
[M+H-H2O]+ 208.07221 138.3
[M+HCOO]- 270.07315 164.5
[M+CH3COO]- 284.08880 182.3
[M+Na-2H]- 246.04962 149.7
[M]+ 225.07440 147.0
[M]- 225.07550 147.0
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.