CID 22050485

19858-50-5

Structural Information

Molecular Formula
C6H8N2OS
SMILES
CSC1=NC=C(C=N1)CO
InChI
InChI=1S/C6H8N2OS/c1-10-6-7-2-5(4-9)3-8-6/h2-3,9H,4H2,1H3
InChIKey
ZEIJWLQVULZDCE-UHFFFAOYSA-N
Compound name
(2-methylsulfanylpyrimidin-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

156.03574 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04302 128.5
[M+Na]+ 179.02496 138.1
[M-H]- 155.02846 128.8
[M+NH4]+ 174.06956 147.1
[M+K]+ 194.99890 135.2
[M+H-H2O]+ 139.03300 122.2
[M+HCOO]- 201.03394 145.0
[M+CH3COO]- 215.04959 172.0
[M+Na-2H]- 177.01041 133.7
[M]+ 156.03519 130.4
[M]- 156.03629 130.4
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