CID 11228787

4-aminopyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C5H5N3O
SMILES
C1=C(C(=NC=N1)N)C=O
InChI
InChI=1S/C5H5N3O/c6-5-4(2-9)1-7-3-8-5/h1-3H,(H2,6,7,8)
InChIKey
PDZKNPQAPGGAFJ-UHFFFAOYSA-N
Compound name
4-aminopyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

96
Patents

123.04326 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.05054 121.2
[M+Na]+ 146.03248 133.9
[M+NH4]+ 141.07708 128.9
[M+K]+ 162.00642 128.5
[M-H]- 122.03598 122.4
[M+Na-2H]- 144.01793 128.6
[M]+ 123.04271 123.1
[M]- 123.04381 123.1
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