CID 118545161

Methyl 3-amino-1,2,4-triazine-6-carboxylate

Structural Information

Molecular Formula
C5H6N4O2
SMILES
COC(=O)C1=CN=C(N=N1)N
InChI
InChI=1S/C5H6N4O2/c1-11-4(10)3-2-7-5(6)9-8-3/h2H,1H3,(H2,6,7,9)
InChIKey
LPJKZSSKTWTNTM-UHFFFAOYSA-N
Compound name
methyl 3-amino-1,2,4-triazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

154.04907 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.056346 129.4
[M+Na]+ 177.038288 138.7
[M-H]- 153.041794 129.2
[M+NH4]+ 172.082893 145.9
[M+K]+ 193.012228 137.7
[M+H-H2O]+ 137.046330 121.5
[M+HCOO]- 199.047271 151.4
[M+CH3COO]- 213.062921 176.2
[M+Na-2H]- 175.023736 137.2
[M]+ 154.04852142 129.5
[M]- 154.04961858 129.5
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

patents stripe