CID 245931

62764-56-1

Structural Information

Molecular Formula
C5H7N3O2
SMILES
CC1=NNC(=O)N(C1=O)C
InChI
InChI=1S/C5H7N3O2/c1-3-4(9)8(2)5(10)7-6-3/h1-2H3,(H,7,10)
InChIKey
YDZNYNCVEANOBE-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2H-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

141.05383 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06111 125.9
[M+Na]+ 164.04305 139.7
[M+NH4]+ 159.08765 132.2
[M+K]+ 180.01699 135.0
[M-H]- 140.04655 124.9
[M+Na-2H]- 162.02850 131.7
[M]+ 141.05328 127.3
[M]- 141.05438 127.3
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.