CID 58974013

868833-93-6

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

COC(=O)CN1N=CC=N1

InChI

InChI=1S/C5H7N3O2/c1-10-5(9)4-8-6-2-3-7-8/h2-3H,4H2,1H3

InChIKey

FDGXDAIRWLNULV-UHFFFAOYSA-N

Compound name

methyl 2-(triazol-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 141.05383 Da
Monoisotopic Mass: 0.3
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	126.0
[M+Na]+	164.04305	135.1
[M-H]-	140.04655	125.9
[M+NH4]+	159.08765	145.2
[M+K]+	180.01699	135.2
[M+H-H2O]+	124.05109	118.3
[M+HCOO]-	186.05203	148.4
[M+CH3COO]-	200.06768	171.0
[M+Na-2H]-	162.02850	132.6
[M]+	141.05328	128.2
[M]-	141.05438	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe