CID 23156341

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

Structural Information

Molecular Formula
C7H4N4
SMILES
C1=CN2C(=CC=N2)N=C1C#N
InChI
InChI=1S/C7H4N4/c8-5-6-2-4-11-7(10-6)1-3-9-11/h1-4H
InChIKey
FUDXQYZITFGAQK-UHFFFAOYSA-N
Compound name
pyrazolo[1,5-a]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

144.0436 Da
Monoisotopic Mass

0.4
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

No literature data available for this compound.

Patent stripe

patents stripe