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]+ 184.07167 136.0
[M+Na]+ 206.05361 144.0
[M-H]- 182.05711 136.9
[M+NH4]+ 201.09821 153.5
[M+K]+ 222.02755 143.2
[M+H-H2O]+ 166.06165 129.3
[M+HCOO]- 228.06259 154.1
[M+CH3COO]- 242.07824 179.2
[M+Na-2H]- 204.03906 141.0
[M]+ 183.06384 133.7
[M]- 183.06494 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.