CID 68379831

1-(oxetan-3-yl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

C1C(CO1)N2C=C(C=N2)C(=O)O

InChI

InChI=1S/C7H8N2O3/c10-7(11)5-1-8-9(2-5)6-3-12-4-6/h1-2,6H,3-4H2,(H,10,11)

InChIKey

HBZDAQAXRCGWBI-UHFFFAOYSA-N

Compound name

1-(oxetan-3-yl)pyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 168.0535 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]+	169.06078	132.1
[M+Na]+	191.04272	138.0
[M+NH4]+	186.08732	134.6
[M+K]+	207.01666	138.6
[M-H]-	167.04622	130.4
[M+Na-2H]-	189.02817	134.0
[M]+	168.05295	130.9
[M]-	168.05405	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe