CID 769097

2-aminopyrimidine-5-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

375
Patents

123.04326 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.05054 121.0
[M+Na]+ 146.03248 130.6
[M-H]- 122.03598 122.1
[M+NH4]+ 141.07708 140.3
[M+K]+ 162.00642 128.9
[M+H-H2O]+ 106.04052 114.1
[M+HCOO]- 168.04146 145.2
[M+CH3COO]- 182.05711 170.9
[M+Na-2H]- 144.01793 130.1
[M]+ 123.04271 119.9
[M]- 123.04381 119.9
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