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 128.8
[M+Na]+ 190.01424 144.6
[M+NH4]+ 185.05884 138.2
[M+K]+ 205.98818 138.6
[M-H]- 166.01774 130.2
[M+Na-2H]- 187.99969 137.2
[M]+ 167.02447 131.8
[M]- 167.02557 131.8
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.

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No patent data available for this compound.