CID 737208

4-aminopyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C5H4N4
SMILES
C1=C(C(=NC=N1)N)C#N
InChI
InChI=1S/C5H4N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,(H2,7,8,9)
InChIKey
JAIYUIOGVNRXEW-UHFFFAOYSA-N
Compound name
4-aminopyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

272
Patents

120.043594 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.05087 125.7
[M+Na]+ 143.03281 137.8
[M+NH4]+ 138.07742 130.3
[M+K]+ 159.00675 129.2
[M-H]- 119.03632 120.0
[M+Na-2H]- 141.01826 130.4
[M]+ 120.04305 124.8
[M]- 120.04414 124.8
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