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]+ 178.97734 127.1
[M+Na]+ 200.95928 139.8
[M-H]- 176.96278 126.9
[M+NH4]+ 196.00388 145.8
[M+K]+ 216.93322 134.5
[M+H-H2O]+ 160.96732 122.5
[M+HCOO]- 222.96826 139.4
[M+CH3COO]- 236.98391 175.4
[M+Na-2H]- 198.94473 133.6
[M]+ 177.96951 129.1
[M]- 177.97061 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.