CID 93736

57615-05-1

Structural Information

Molecular Formula
C10H11N3O3
SMILES
CCOC(=O)C1=CN2C(=CC(=O)N2)N=C1C
InChI
InChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-13-8(11-6(7)2)4-9(14)12-13/h4-5H,3H2,1-2H3,(H,12,14)
InChIKey
ZUAAVNLKGAEZDG-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08005 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.08733 145.5
[M+Na]+ 244.06927 157.4
[M-H]- 220.07277 146.1
[M+NH4]+ 239.11387 162.7
[M+K]+ 260.04321 154.0
[M+H-H2O]+ 204.07731 138.3
[M+HCOO]- 266.07825 166.4
[M+CH3COO]- 280.09390 185.4
[M+Na-2H]- 242.05472 150.9
[M]+ 221.07950 149.8
[M]- 221.08060 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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