CID 15152498

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

Structural Information

Molecular Formula

C₅H₅N₃O₂

SMILES

COC(=O)C1=NN=NC=C1

InChI

InChI=1S/C5H5N3O2/c1-10-5(9)4-2-3-6-8-7-4/h2-3H,1H3

InChIKey

BYTPHJAFXFEZLP-UHFFFAOYSA-N

Compound name

methyl triazine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 139.03818 Da
Monoisotopic Mass: -0.5
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]+	140.04546	125.4
[M+Na]+	162.02740	138.2
[M+NH4]+	157.07200	132.2
[M+K]+	178.00134	133.6
[M-H]-	138.03090	124.8
[M+Na-2H]-	160.01285	132.4
[M]+	139.03763	126.8
[M]-	139.03873	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe