CID 59462115

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

158.02469 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03197 127.6
[M+Na]+ 181.01391 138.5
[M-H]- 157.01741 127.7
[M+NH4]+ 176.05851 146.6
[M+K]+ 196.98785 134.8
[M+H-H2O]+ 141.02195 121.9
[M+HCOO]- 203.02289 144.6
[M+CH3COO]- 217.03854 173.1
[M+Na-2H]- 178.99936 135.2
[M]+ 158.02414 129.5
[M]- 158.02524 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