CID 84230

14160-93-1

Structural Information

Molecular Formula
C5H4ClN3O
SMILES
C1=NC(=C(C(=N1)Cl)C=O)N
InChI
InChI=1S/C5H4ClN3O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H,(H2,7,8,9)
InChIKey
GOJNFUXEBVBARW-UHFFFAOYSA-N
Compound name
4-amino-6-chloropyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

338
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

literature stripe

Patent stripe

patents stripe