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: 19
Patents: 154.04907 Da
Monoisotopic Mass: -1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.05635	129.0
[M+Na]+	177.03829	140.5
[M+NH4]+	172.08289	135.1
[M+K]+	193.01223	136.8
[M-H]-	153.04179	128.5
[M+Na-2H]-	175.02374	134.9
[M]+	154.04852	130.1
[M]-	154.04962	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe