CID 83815408

1286755-21-2

Structural Information

Molecular Formula

C₆H₆N₂O₃

SMILES

C1COC2=C(C=NN21)C(=O)O

InChI

InChI=1S/C6H6N2O3/c9-6(10)4-3-7-8-1-2-11-5(4)8/h3H,1-2H2,(H,9,10)

InChIKey

XPHNBRIOESOWQT-UHFFFAOYSA-N

Compound name

2,3-dihydropyrazolo[5,1-b][1,3]oxazole-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 154.03784 Da
Monoisotopic Mass: -0.2
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]+	155.04512	128.6
[M+Na]+	177.02706	138.1
[M+NH4]+	172.07166	135.6
[M+K]+	193.00100	138.8
[M-H]-	153.03056	128.3
[M+Na-2H]-	175.01251	130.8
[M]+	154.03729	129.4
[M]-	154.03839	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe