CID 132351136

4-(1h-pyrazol-1-yl)oxolan-3-one

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

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

InChI

InChI=1S/C7H8N2O2/c10-7-5-11-4-6(7)9-3-1-2-8-9/h1-3,6H,4-5H2

InChIKey

SZOOELRTFVUXNP-UHFFFAOYSA-N

Compound name

4-pyrazol-1-yloxolan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.05858 Da
Monoisotopic Mass: -0.1
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]+	153.06586	127.9
[M+Na]+	175.04780	136.4
[M-H]-	151.05130	132.8
[M+NH4]+	170.09240	148.3
[M+K]+	191.02174	136.6
[M+H-H2O]+	135.05584	121.1
[M+HCOO]-	197.05678	150.4
[M+CH3COO]-	211.07243	171.7
[M+Na-2H]-	173.03325	132.5
[M]+	152.05803	127.4
[M]-	152.05913	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.