CID 819275

Pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Structural Information

Molecular Formula
C7H4N4
SMILES
C1=CN2C(=C(C=N2)C#N)N=C1
InChI
InChI=1S/C7H4N4/c8-4-6-5-10-11-3-1-2-9-7(6)11/h1-3,5H
InChIKey
RRHORVAOECWFPT-UHFFFAOYSA-N
Compound name
pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

124
Patents

144.0436 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.05088 125.2
[M+Na]+ 167.03282 138.0
[M-H]- 143.03632 125.0
[M+NH4]+ 162.07742 143.1
[M+K]+ 183.00676 133.9
[M+H-H2O]+ 127.04086 110.3
[M+HCOO]- 189.04180 144.4
[M+CH3COO]- 203.05745 137.8
[M+Na-2H]- 165.01827 134.2
[M]+ 144.04305 121.5
[M]- 144.04415 121.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe