CID 80663195

(4-chloro-6-methylpyrimidin-2-yl)methanol

Structural Information

Molecular Formula
C6H7ClN2O
SMILES
CC1=CC(=NC(=N1)CO)Cl
InChI
InChI=1S/C6H7ClN2O/c1-4-2-5(7)9-6(3-10)8-4/h2,10H,3H2,1H3
InChIKey
GFNAELFDXMUWSU-UHFFFAOYSA-N
Compound name
(4-chloro-6-methylpyrimidin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

158.02469 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.031966 127.6
[M+Na]+ 181.013908 138.5
[M-H]- 157.017414 127.7
[M+NH4]+ 176.058513 146.6
[M+K]+ 196.987848 134.8
[M+H-H2O]+ 141.021950 121.9
[M+HCOO]- 203.022891 144.6
[M+CH3COO]- 217.038541 173.1
[M+Na-2H]- 178.999356 135.2
[M]+ 158.02414142 129.5
[M]- 158.02523858 129.5
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