CID 21331076

1092286-86-6

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

COC(=O)CC1=NNN=C1

InChI

InChI=1S/C5H7N3O2/c1-10-5(9)2-4-3-6-8-7-4/h3H,2H2,1H3,(H,6,7,8)

InChIKey

UEDZYAFQOOJYCC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 141.05383 Da
Monoisotopic Mass: -0.6
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	128.0
[M+Na]+	164.04305	138.1
[M+NH4]+	159.08765	134.0
[M+K]+	180.01699	136.1
[M-H]-	140.04655	125.9
[M+Na-2H]-	162.02850	132.4
[M]+	141.05328	128.4
[M]-	141.05438	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe