CID 269896

20271-33-4

Structural Information

Molecular Formula

C₁₂H₁₄N₄O₂

SMILES

CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=C2)N

InChI

InChI=1S/C12H14N4O2/c1-2-18-12(17)10-11(13)16(15-14-10)8-9-6-4-3-5-7-9/h3-7H,2,8,13H2,1H3

InChIKey

WPALUGLYRHXNGX-UHFFFAOYSA-N

Compound name

ethyl 5-amino-1-benzyltriazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 246.11168 Da
Monoisotopic Mass: 2.0
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]+	247.11896	155.4
[M+Na]+	269.10090	166.9
[M+NH4]+	264.14550	161.3
[M+K]+	285.07484	163.7
[M-H]-	245.10440	156.7
[M+Na-2H]-	267.08635	161.7
[M]+	246.11113	157.1
[M]-	246.11223	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe