CID 136312189

3-chloro-2-methyl-4h,5h,6h,7h-pyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C7H10ClN3
SMILES
CC1=NN2CCCNC2=C1Cl
InChI
InChI=1S/C7H10ClN3/c1-5-6(8)7-9-3-2-4-11(7)10-5/h9H,2-4H2,1H3
InChIKey
CBVAMNBDQYAFTO-UHFFFAOYSA-N
Compound name
3-chloro-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.05632 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06360 135.5
[M+Na]+ 194.04554 145.3
[M-H]- 170.04904 134.3
[M+NH4]+ 189.09014 155.1
[M+K]+ 210.01948 140.7
[M+H-H2O]+ 154.05358 128.5
[M+HCOO]- 216.05452 148.2
[M+CH3COO]- 230.07017 147.7
[M+Na-2H]- 192.03099 140.5
[M]+ 171.05577 133.4
[M]- 171.05687 133.4
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.