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
4
Annotation Hits

0
References

4
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 124.6
[M+Na]+ 164.04305 136.8
[M-H]- 140.04655 124.2
[M+NH4]+ 159.08765 142.3
[M+K]+ 180.01699 134.2
[M+H-H2O]+ 124.05109 118.0
[M+HCOO]- 186.05203 145.8
[M+CH3COO]- 200.06768 170.9
[M+Na-2H]- 162.02850 132.2
[M]+ 141.05328 125.4
[M]- 141.05438 125.4
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

patents stripe