CID 684169

69218-46-8

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₂

SMILES

CCOC(=O)CN1C2=CC=CC=C2N=N1

InChI

InChI=1S/C10H11N3O2/c1-2-15-10(14)7-13-9-6-4-3-5-8(9)11-12-13/h3-6H,2,7H2,1H3

InChIKey

DAWOQVVENZAAPT-UHFFFAOYSA-N

Compound name

ethyl 2-(benzotriazol-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 21
Patents: 205.08513 Da
Monoisotopic Mass: 1.2
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]+	206.09241	143.0
[M+Na]+	228.07435	156.1
[M+NH4]+	223.11895	150.0
[M+K]+	244.04829	152.0
[M-H]-	204.07785	142.8
[M+Na-2H]-	226.05980	149.0
[M]+	205.08458	144.6
[M]-	205.08568	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe