CID 165884582

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

Structural Information

Molecular Formula
C7H9N3O3
SMILES
C1C(COC2=C(C=NN21)C(=O)O)N
InChI
InChI=1S/C7H9N3O3/c8-4-2-10-6(13-3-4)5(1-9-10)7(11)12/h1,4H,2-3,8H2,(H,11,12)
InChIKey
IXZWFWCANQSSMJ-UHFFFAOYSA-N
Compound name
6-amino-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.06439 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.071666 136.0
[M+Na]+ 206.053608 144.0
[M-H]- 182.057114 136.9
[M+NH4]+ 201.098213 153.5
[M+K]+ 222.027548 143.2
[M+H-H2O]+ 166.061650 129.3
[M+HCOO]- 228.062591 154.1
[M+CH3COO]- 242.078241 179.2
[M+Na-2H]- 204.039056 141.0
[M]+ 183.06384142 133.7
[M]- 183.06493858 133.7
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

No patent data available for this compound.