CID 20818621

3-methyl-4-amino-1,2,4-triazin-5(4h)one

Structural Information

Molecular Formula
C4H6N4O
SMILES
CC1=NN=CC(=O)N1N
InChI
InChI=1S/C4H6N4O/c1-3-7-6-2-4(9)8(3)5/h2H,5H2,1H3
InChIKey
KWKMVIJEJMXAER-UHFFFAOYSA-N
Compound name
4-amino-3-methyl-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

126.05416 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06144 122.3
[M+Na]+ 149.04338 133.4
[M-H]- 125.04688 122.5
[M+NH4]+ 144.08798 140.5
[M+K]+ 165.01732 131.5
[M+H-H2O]+ 109.05142 115.0
[M+HCOO]- 171.05236 145.4
[M+CH3COO]- 185.06801 172.1
[M+Na-2H]- 147.02883 131.1
[M]+ 126.05361 121.7
[M]- 126.05471 121.7
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