CID 167719402

5',7'-dihydrospiro[oxetane-3,6'-pyrazolo[3,2-b][1,3]oxazine]-3'-carboxylic acid

Structural Information

Molecular Formula
C9H10N2O4
SMILES
C1C2(COC2)COC3=C(C=NN31)C(=O)O
InChI
InChI=1S/C9H10N2O4/c12-8(13)6-1-10-11-2-9(3-14-4-9)5-15-7(6)11/h1H,2-5H2,(H,12,13)
InChIKey
PAPOGFSIKJOEEH-UHFFFAOYSA-N
Compound name
spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-oxetane]-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.06406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 135.1
[M+Na]+ 233.05328 141.6
[M-H]- 209.05678 138.9
[M+NH4]+ 228.09788 146.3
[M+K]+ 249.02722 145.5
[M+H-H2O]+ 193.06132 124.4
[M+HCOO]- 255.06226 149.7
[M+CH3COO]- 269.07791 183.7
[M+Na-2H]- 231.03873 142.3
[M]+ 210.06351 143.7
[M]- 210.06461 143.7
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.