CID 13568519

Methyl 1-methyl-1h-1,2,4-triazole-5-carboxylate

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

CN1C(=NC=N1)C(=O)OC

InChI

InChI=1S/C5H7N3O2/c1-8-4(5(9)10-2)6-3-7-8/h3H,1-2H3

InChIKey

XOGWSBKYAIGMAS-UHFFFAOYSA-N

Compound name

methyl 2-methyl-1,2,4-triazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 141.05383 Da
Monoisotopic Mass: 0.2
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]+	142.06111	127.3
[M+Na]+	164.04305	138.4
[M+NH4]+	159.08765	133.8
[M+K]+	180.01699	136.3
[M-H]-	140.04655	125.8
[M+Na-2H]-	162.02850	132.1
[M]+	141.05328	128.1
[M]-	141.05438	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe