CID 33788212

1-(2-methoxyethyl)-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula

C₆H₉N₃O₃

SMILES

COCCN1C=C(N=N1)C(=O)O

InChI

InChI=1S/C6H9N3O3/c1-12-3-2-9-4-5(6(10)11)7-8-9/h4H,2-3H2,1H3,(H,10,11)

InChIKey

ROSNWRPXSJVOIW-UHFFFAOYSA-N

Compound name

1-(2-methoxyethyl)triazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 171.06439 Da
Monoisotopic Mass: -0.7
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]+	172.07167	135.1
[M+Na]+	194.05361	145.0
[M+NH4]+	189.09821	140.4
[M+K]+	210.02755	143.5
[M-H]-	170.05711	132.6
[M+Na-2H]-	192.03906	138.6
[M]+	171.06384	135.3
[M]-	171.06494	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe