CID 50990808

6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

Structural Information

Molecular Formula
C8H4N4O
SMILES
C1=C(C=NC2=C(C=NN21)C#N)C=O
InChI
InChI=1S/C8H4N4O/c9-1-7-3-11-12-4-6(5-13)2-10-8(7)12/h2-5H
InChIKey
YRXCWLJVNBJLCU-UHFFFAOYSA-N
Compound name
6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.03851 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04579 132.1
[M+Na]+ 195.02773 145.3
[M-H]- 171.03123 132.1
[M+NH4]+ 190.07233 149.0
[M+K]+ 211.00167 141.0
[M+H-H2O]+ 155.03577 117.1
[M+HCOO]- 217.03671 151.3
[M+CH3COO]- 231.05236 144.4
[M+Na-2H]- 193.01318 139.8
[M]+ 172.03796 129.6
[M]- 172.03906 129.6
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

No patent data available for this compound.