CID 86634908

4-amino-2-chloropyrimidin-5-ol

Structural Information

Molecular Formula
C4H4ClN3O
SMILES
C1=C(C(=NC(=N1)Cl)N)O
InChI
InChI=1S/C4H4ClN3O/c5-4-7-1-2(9)3(6)8-4/h1,9H,(H2,6,7,8)
InChIKey
VNMOXVXRYNMFCI-UHFFFAOYSA-N
Compound name
4-amino-2-chloropyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

145.00429 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.01157 123.8
[M+Na]+ 167.99351 134.7
[M-H]- 143.99701 123.7
[M+NH4]+ 163.03811 142.7
[M+K]+ 183.96745 131.0
[M+H-H2O]+ 128.00155 118.2
[M+HCOO]- 190.00249 141.9
[M+CH3COO]- 204.01814 171.3
[M+Na-2H]- 165.97896 131.6
[M]+ 145.00374 123.3
[M]- 145.00484 123.3
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