CID 83815408

2h,3h-pyrazolo[3,2-b][1,3]oxazole-7-carboxylic acid

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

10
Patents

154.03784 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 127.6
[M+Na]+ 177.02706 136.8
[M-H]- 153.03056 129.3
[M+NH4]+ 172.07166 148.4
[M+K]+ 193.00100 137.0
[M+H-H2O]+ 137.03510 122.0
[M+HCOO]- 199.03604 147.9
[M+CH3COO]- 213.05169 170.5
[M+Na-2H]- 175.01251 132.7
[M]+ 154.03729 128.4
[M]- 154.03839 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe