CID 72214557

4-amino-2-chloropyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C5H4ClN3O
SMILES
C1=C(C(=NC(=N1)Cl)N)C=O
InChI
InChI=1S/C5H4ClN3O/c6-5-8-1-3(2-10)4(7)9-5/h1-2H,(H2,7,8,9)
InChIKey
OECXFKRCZAGHDF-UHFFFAOYSA-N
Compound name
4-amino-2-chloropyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

157.00429 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.01157 126.3
[M+Na]+ 179.99351 140.2
[M+NH4]+ 175.03811 134.2
[M+K]+ 195.96745 134.2
[M-H]- 155.99701 127.5
[M+Na-2H]- 177.97896 133.5
[M]+ 157.00374 128.7
[M]- 157.00484 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe