CID 136326586

2,6-dichloro-5-methylpyrimidin-4-ol

Structural Information

Molecular Formula
C5H4Cl2N2O
SMILES
CC1=C(N=C(NC1=O)Cl)Cl
InChI
InChI=1S/C5H4Cl2N2O/c1-2-3(6)8-5(7)9-4(2)10/h1H3,(H,8,9,10)
InChIKey
YMVOICQMYQEPBW-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.97006 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.977336 127.1
[M+Na]+ 200.959278 139.8
[M-H]- 176.962784 126.9
[M+NH4]+ 196.003883 145.8
[M+K]+ 216.933218 134.5
[M+H-H2O]+ 160.967320 122.5
[M+HCOO]- 222.968261 139.4
[M+CH3COO]- 236.983911 175.4
[M+Na-2H]- 198.944726 133.6
[M]+ 177.96951142 129.1
[M]- 177.97060858 129.1
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

No patent data available for this compound.