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]+ 171.058666 132.9
[M+Na]+ 193.040608 142.1
[M-H]- 169.044114 133.0
[M+NH4]+ 188.085213 151.0
[M+K]+ 209.014548 138.9
[M+H-H2O]+ 153.048650 126.4
[M+HCOO]- 215.049591 149.1
[M+CH3COO]- 229.065241 175.0
[M+Na-2H]- 191.026056 137.5
[M]+ 170.05084142 135.2
[M]- 170.05193858 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.