CID 71777862

1428234-33-6

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1CC12CN3C(=C(C=N3)C(=O)O)OC2
InChI
InChI=1S/C9H10N2O3/c12-8(13)6-3-10-11-4-9(1-2-9)5-14-7(6)11/h3H,1-2,4-5H2,(H,12,13)
InChIKey
BNMHQGOFOQJFFK-UHFFFAOYSA-N
Compound name
spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06914 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 146.3
[M+Na]+ 217.05836 157.0
[M-H]- 193.06186 150.5
[M+NH4]+ 212.10296 161.2
[M+K]+ 233.03230 154.9
[M+H-H2O]+ 177.06640 140.1
[M+HCOO]- 239.06734 163.0
[M+CH3COO]- 253.08299 158.6
[M+Na-2H]- 215.04381 152.6
[M]+ 194.06859 148.3
[M]- 194.06969 148.3
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.