CID 63820991

7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C9H8ClN3
SMILES
C1CC1C2=NC3=CC=NN3C(=C2)Cl
InChI
InChI=1S/C9H8ClN3/c10-8-5-7(6-1-2-6)12-9-3-4-11-13(8)9/h3-6H,1-2H2
InChIKey
YQUXIKCVENKGIF-UHFFFAOYSA-N
Compound name
7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04068 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04796 144.6
[M+Na]+ 216.02990 158.5
[M-H]- 192.03340 149.1
[M+NH4]+ 211.07450 159.1
[M+K]+ 232.00384 152.2
[M+H-H2O]+ 176.03794 136.3
[M+HCOO]- 238.03888 162.8
[M+CH3COO]- 252.05453 157.8
[M+Na-2H]- 214.01535 151.3
[M]+ 193.04013 149.8
[M]- 193.04123 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.