CID 121320776

1919821-45-6

Structural Information

Molecular Formula
C8H6ClN3O2
SMILES
CC1=CC(=NC2=C(C=NN12)C(=O)O)Cl
InChI
InChI=1S/C8H6ClN3O2/c1-4-2-6(9)11-7-5(8(13)14)3-10-12(4)7/h2-3H,1H3,(H,13,14)
InChIKey
CCCOKESGSUWSQT-UHFFFAOYSA-N
Compound name
5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

211.01485 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.022126 139.3
[M+Na]+ 234.004068 152.5
[M-H]- 210.007574 139.8
[M+NH4]+ 229.048673 157.7
[M+K]+ 249.978008 147.9
[M+H-H2O]+ 194.012110 132.8
[M+HCOO]- 256.013051 155.7
[M+CH3COO]- 270.028701 182.5
[M+Na-2H]- 231.989516 145.2
[M]+ 211.01430142 144.0
[M]- 211.01539858 144.0
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