CID 82207945

Ethyl 5-amino-1-methyl-1h-1,2,3-triazole-4-carboxylate

Structural Information

Molecular Formula

C₆H₁₀N₄O₂

SMILES

CCOC(=O)C1=C(N(N=N1)C)N

InChI

InChI=1S/C6H10N4O2/c1-3-12-6(11)4-5(7)10(2)9-8-4/h3,7H2,1-2H3

InChIKey

DCNPOOIFKGWZGM-UHFFFAOYSA-N

Compound name

ethyl 5-amino-1-methyltriazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.08037 Da
Monoisotopic Mass: 0.4
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]+	171.087646	134.7
[M+Na]+	193.069588	144.4
[M-H]-	169.073094	134.7
[M+NH4]+	188.114193	152.8
[M+K]+	209.043528	143.6
[M+H-H2O]+	153.077630	127.1
[M+HCOO]-	215.078571	157.2
[M+CH3COO]-	229.094221	180.5
[M+Na-2H]-	191.055036	138.8
[M]+	170.07982142	136.2
[M]-	170.08091858	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.