CID 83674449

2-[2-(methylsulfanyl)pyrimidin-5-yl]ethan-1-ol

Structural Information

Molecular Formula
C7H10N2OS
SMILES
CSC1=NC=C(C=N1)CCO
InChI
InChI=1S/C7H10N2OS/c1-11-7-8-4-6(2-3-10)5-9-7/h4-5,10H,2-3H2,1H3
InChIKey
QCXLUHRIKXDRMZ-UHFFFAOYSA-N
Compound name
2-(2-methylsulfanylpyrimidin-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.05139 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05867 132.9
[M+Na]+ 193.04061 142.1
[M-H]- 169.04411 133.0
[M+NH4]+ 188.08521 151.0
[M+K]+ 209.01455 138.9
[M+H-H2O]+ 153.04865 126.4
[M+HCOO]- 215.04959 149.1
[M+CH3COO]- 229.06524 175.0
[M+Na-2H]- 191.02606 137.5
[M]+ 170.05084 135.2
[M]- 170.05194 135.2
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.