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]+ 194.047956 144.6
[M+Na]+ 216.029898 158.5
[M-H]- 192.033404 149.1
[M+NH4]+ 211.074503 159.1
[M+K]+ 232.003838 152.2
[M+H-H2O]+ 176.037940 136.3
[M+HCOO]- 238.038881 162.8
[M+CH3COO]- 252.054531 157.8
[M+Na-2H]- 214.015346 151.3
[M]+ 193.04013142 149.8
[M]- 193.04122858 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.