CID 136278171

6-chloro-2-(propan-2-yl)pyrimidin-4-ol

Structural Information

Molecular Formula
C7H9ClN2O
SMILES
CC(C)C1=NC(=CC(=O)N1)Cl
InChI
InChI=1S/C7H9ClN2O/c1-4(2)7-9-5(8)3-6(11)10-7/h3-4H,1-2H3,(H,9,10,11)
InChIKey
SYFHLNPUIWQMTB-UHFFFAOYSA-N
Compound name
4-chloro-2-propan-2-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

172.04034 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.047616 131.2
[M+Na]+ 195.029558 141.7
[M-H]- 171.033064 131.3
[M+NH4]+ 190.074163 149.5
[M+K]+ 211.003498 137.6
[M+H-H2O]+ 155.037600 125.5
[M+HCOO]- 217.038541 147.1
[M+CH3COO]- 231.054191 176.2
[M+Na-2H]- 193.015006 137.0
[M]+ 172.03979142 132.2
[M]- 172.04088858 132.2
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