CID 59764217

Methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate

Structural Information

Molecular Formula
C8H6ClN3O2
SMILES
COC(=O)C1=NC2=CC=NN2C(=C1)Cl
InChI
InChI=1S/C8H6ClN3O2/c1-14-8(13)5-4-6(9)12-7(11-5)2-3-10-12/h2-4H,1H3
InChIKey
QGCGOFXLRDHWIJ-UHFFFAOYSA-N
Compound name
methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

211.01485 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.022126 138.9
[M+Na]+ 234.004068 151.7
[M-H]- 210.007574 140.5
[M+NH4]+ 229.048673 157.8
[M+K]+ 249.978008 148.0
[M+H-H2O]+ 194.012110 131.7
[M+HCOO]- 256.013051 156.8
[M+CH3COO]- 270.028701 183.2
[M+Na-2H]- 231.989516 146.0
[M]+ 211.01430142 145.0
[M]- 211.01539858 145.0
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

patents stripe