CID 131631781

8-(1-methyl-1h-pyrazol-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane-2,4-dione

Structural Information

Molecular Formula
C10H11N3O3
SMILES
CN1C=C(C=N1)N2C3CCC2C(=O)OC3=O
InChI
InChI=1S/C10H11N3O3/c1-12-5-6(4-11-12)13-7-2-3-8(13)10(15)16-9(7)14/h4-5,7-8H,2-3H2,1H3
InChIKey
MYNVJXRWLXZDHN-UHFFFAOYSA-N
Compound name
8-(1-methylpyrazol-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08005 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.087326 146.6
[M+Na]+ 244.069268 156.5
[M-H]- 220.072774 150.0
[M+NH4]+ 239.113873 165.0
[M+K]+ 260.043208 155.1
[M+H-H2O]+ 204.077310 139.8
[M+HCOO]- 266.078251 163.8
[M+CH3COO]- 280.093901 159.4
[M+Na-2H]- 242.054716 148.8
[M]+ 221.07950142 147.6
[M]- 221.08059858 147.6
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.