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]+ 211.071336 135.1
[M+Na]+ 233.053278 141.6
[M-H]- 209.056784 138.9
[M+NH4]+ 228.097883 146.3
[M+K]+ 249.027218 145.5
[M+H-H2O]+ 193.061320 124.4
[M+HCOO]- 255.062261 149.7
[M+CH3COO]- 269.077911 183.7
[M+Na-2H]- 231.038726 142.3
[M]+ 210.06351142 143.7
[M]- 210.06460858 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.