CID 129981873

3-(chloromethyl)pyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C7H6ClN3
SMILES
C1=CN2C(=C(C=N2)CCl)N=C1
InChI
InChI=1S/C7H6ClN3/c8-4-6-5-10-11-3-1-2-9-7(6)11/h1-3,5H,4H2
InChIKey
HUKXWOAANIKTQP-UHFFFAOYSA-N
Compound name
3-(chloromethyl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.02502 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03230 129.2
[M+Na]+ 190.01424 141.7
[M-H]- 166.01774 130.1
[M+NH4]+ 185.05884 149.7
[M+K]+ 205.98818 137.3
[M+H-H2O]+ 150.02228 121.8
[M+HCOO]- 212.02322 147.8
[M+CH3COO]- 226.03887 143.6
[M+Na-2H]- 187.99969 138.6
[M]+ 167.02447 133.0
[M]- 167.02557 133.0
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

No patent data available for this compound.