CID 206163

43024-25-5

Structural Information

Molecular Formula
C8H8ClN3
SMILES
CC1=CC(=NC2=C(C=NN12)Cl)C
InChI
InChI=1S/C8H8ClN3/c1-5-3-6(2)12-8(11-5)7(9)4-10-12/h3-4H,1-2H3
InChIKey
YLZFCFRWCZJDSQ-UHFFFAOYSA-N
Compound name
3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

181.04068 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04796 134.3
[M+Na]+ 204.02990 148.2
[M-H]- 180.03340 135.8
[M+NH4]+ 199.07450 154.8
[M+K]+ 220.00384 143.5
[M+H-H2O]+ 164.03794 127.4
[M+HCOO]- 226.03888 152.5
[M+CH3COO]- 240.05453 148.9
[M+Na-2H]- 202.01535 141.6
[M]+ 181.04013 139.2
[M]- 181.04123 139.2
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

patents stripe