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]+ 172.063596 135.5
[M+Na]+ 194.045538 145.3
[M-H]- 170.049044 134.3
[M+NH4]+ 189.090143 155.1
[M+K]+ 210.019478 140.7
[M+H-H2O]+ 154.053580 128.5
[M+HCOO]- 216.054521 148.2
[M+CH3COO]- 230.070171 147.7
[M+Na-2H]- 192.030986 140.5
[M]+ 171.05577142 133.4
[M]- 171.05686858 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.