CID 59419388

(4-chloro-2-(methylthio)pyrimidin-5-yl)methanol

Structural Information

Molecular Formula
C6H7ClN2OS
SMILES
CSC1=NC=C(C(=N1)Cl)CO
InChI
InChI=1S/C6H7ClN2OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2,10H,3H2,1H3
InChIKey
ADJUHOQFENGHSW-UHFFFAOYSA-N
Compound name
(4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

189.99677 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00405 132.8
[M+Na]+ 212.98599 143.8
[M-H]- 188.98949 133.3
[M+NH4]+ 208.03059 151.1
[M+K]+ 228.95993 139.2
[M+H-H2O]+ 172.99403 127.5
[M+HCOO]- 234.99497 144.6
[M+CH3COO]- 249.01062 177.0
[M+Na-2H]- 210.97144 136.9
[M]+ 189.99622 136.7
[M]- 189.99732 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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