CID 21941483

623565-50-4

Structural Information

Molecular Formula

C₆H₆N₂O₂

SMILES

C1COC2=CC(=NN21)C=O

InChI

InChI=1S/C6H6N2O2/c9-4-5-3-6-8(7-5)1-2-10-6/h3-4H,1-2H2

InChIKey

HRWUBJRFWUWTLF-UHFFFAOYSA-N

Compound name

2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 138.04292 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]+	139.05020	123.5
[M+Na]+	161.03214	133.6
[M-H]-	137.03564	126.4
[M+NH4]+	156.07674	145.9
[M+K]+	177.00608	133.8
[M+H-H2O]+	121.04018	117.6
[M+HCOO]-	183.04112	146.1
[M+CH3COO]-	197.05677	170.2
[M+Na-2H]-	159.01759	130.2
[M]+	138.04237	125.4
[M]-	138.04347	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe