CID 44454582

1-(prop-2-en-1-yl)-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula

C₆H₇N₃O₂

SMILES

C=CCN1C=C(N=N1)C(=O)O

InChI

InChI=1S/C6H7N3O2/c1-2-3-9-4-5(6(10)11)7-8-9/h2,4H,1,3H2,(H,10,11)

InChIKey

QACGJWPGZYTCSY-UHFFFAOYSA-N

Compound name

1-prop-2-enyltriazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 153.05383 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]+	154.06111	131.5
[M+Na]+	176.04305	141.9
[M+NH4]+	171.08765	137.1
[M+K]+	192.01699	139.8
[M-H]-	152.04655	129.2
[M+Na-2H]-	174.02850	135.3
[M]+	153.05328	131.9
[M]-	153.05438	131.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.