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

5
Patents

157.00429 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.011566 126.8
[M+Na]+ 179.993508 137.9
[M-H]- 155.997014 127.9
[M+NH4]+ 175.038113 145.7
[M+K]+ 195.967448 134.3
[M+H-H2O]+ 140.001550 120.7
[M+HCOO]- 202.002491 146.2
[M+CH3COO]- 216.018141 176.0
[M+Na-2H]- 177.978956 134.5
[M]+ 157.00374142 127.8
[M]- 157.00483858 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