CID 2807616

7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile

Structural Information

Molecular Formula
C7H5N5
SMILES
C1=C2N=CC(=C(N2N=C1)N)C#N
InChI
InChI=1S/C7H5N5/c8-3-5-4-10-6-1-2-11-12(6)7(5)9/h1-2,4H,9H2
InChIKey
XBKLUCYMMSKAEI-UHFFFAOYSA-N
Compound name
7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

159.05449 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06177 130.5
[M+Na]+ 182.04371 143.1
[M-H]- 158.04721 130.1
[M+NH4]+ 177.08831 147.5
[M+K]+ 198.01765 138.9
[M+H-H2O]+ 142.05175 115.6
[M+HCOO]- 204.05269 150.0
[M+CH3COO]- 218.06834 142.5
[M+Na-2H]- 180.02916 138.2
[M]+ 159.05394 125.6
[M]- 159.05504 125.6
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

patents stripe