CID 57503805

198125-35-8

Structural Information

Molecular Formula

C₆H₉N₃O₂

SMILES

CCOC(=O)CC1=NNN=C1

InChI

InChI=1S/C6H9N3O2/c1-2-11-6(10)3-5-4-7-9-8-5/h4H,2-3H2,1H3,(H,7,8,9)

InChIKey

FDNUSDNNHATIKL-UHFFFAOYSA-N

Compound name

ethyl 2-(2H-triazol-4-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 155.06947 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]+	156.07675	132.4
[M+Na]+	178.05869	142.3
[M+NH4]+	173.10329	138.3
[M+K]+	194.03263	140.1
[M-H]-	154.06219	130.2
[M+Na-2H]-	176.04414	136.5
[M]+	155.06892	132.7
[M]-	155.07002	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe