CID 21941386

5h,6h,7h-pyrazolo[3,2-b][1,3]oxazine-2-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O3
SMILES
C1CN2C(=CC(=N2)C(=O)O)OC1
InChI
InChI=1S/C7H8N2O3/c10-7(11)5-4-6-9(8-5)2-1-3-12-6/h4H,1-3H2,(H,10,11)
InChIKey
YFZDKAJETNSREY-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

168.0535 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 131.6
[M+Na]+ 191.04272 139.6
[M-H]- 167.04622 132.7
[M+NH4]+ 186.08732 150.0
[M+K]+ 207.01666 139.3
[M+H-H2O]+ 151.05076 125.1
[M+HCOO]- 213.05170 149.4
[M+CH3COO]- 227.06735 173.5
[M+Na-2H]- 189.02817 137.8
[M]+ 168.05295 130.6
[M]- 168.05405 130.6
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