CID 105429841

1-cyclopropyl-1h-1,2,3-triazole-5-carboxylic acid

Structural Information

Molecular Formula

C₆H₇N₃O₂

SMILES

C1CC1N2C(=CN=N2)C(=O)O

InChI

InChI=1S/C6H7N3O2/c10-6(11)5-3-7-8-9(5)4-1-2-4/h3-4H,1-2H2,(H,10,11)

InChIKey

UPAHYDCUFANRHS-UHFFFAOYSA-N

Compound name

3-cyclopropyltriazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 153.05383 Da
Monoisotopic Mass: 0.0
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	134.8
[M+Na]+	176.04305	146.9
[M+NH4]+	171.08765	141.8
[M+K]+	192.01699	145.9
[M-H]-	152.04655	141.2
[M+Na-2H]-	174.02850	142.2
[M]+	153.05328	139.1
[M]-	153.05438	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe