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]+ 222.08733 146.6
[M+Na]+ 244.06927 156.5
[M-H]- 220.07277 150.0
[M+NH4]+ 239.11387 165.0
[M+K]+ 260.04321 155.1
[M+H-H2O]+ 204.07731 139.8
[M+HCOO]- 266.07825 163.8
[M+CH3COO]- 280.09390 159.4
[M+Na-2H]- 242.05472 148.8
[M]+ 221.07950 147.6
[M]- 221.08060 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.