CID 136312148

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

Structural Information

Molecular Formula
C6H8ClN3
SMILES
C1CNC2=C(C=NN2C1)Cl
InChI
InChI=1S/C6H8ClN3/c7-5-4-9-10-3-1-2-8-6(5)10/h4,8H,1-3H2
InChIKey
NHEZDGKCPIDYBH-UHFFFAOYSA-N
Compound name
3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.04068 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.047956 130.5
[M+Na]+ 180.029898 139.8
[M-H]- 156.033404 129.1
[M+NH4]+ 175.074503 150.3
[M+K]+ 196.003838 135.5
[M+H-H2O]+ 140.037940 123.4
[M+HCOO]- 202.038881 143.6
[M+CH3COO]- 216.054531 142.8
[M+Na-2H]- 178.015346 136.8
[M]+ 157.04013142 127.7
[M]- 157.04122858 127.7
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.