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 126.8
[M+Na]+ 179.99351 137.9
[M-H]- 155.99701 127.9
[M+NH4]+ 175.03811 145.7
[M+K]+ 195.96745 134.3
[M+H-H2O]+ 140.00155 120.7
[M+HCOO]- 202.00249 146.2
[M+CH3COO]- 216.01814 176.0
[M+Na-2H]- 177.97896 134.5
[M]+ 157.00374 127.8
[M]- 157.00484 127.8
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