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

94
Patents

156.03574 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.043016 128.5
[M+Na]+ 179.024958 138.1
[M-H]- 155.028464 128.8
[M+NH4]+ 174.069563 147.1
[M+K]+ 194.998898 135.2
[M+H-H2O]+ 139.033000 122.2
[M+HCOO]- 201.033941 145.0
[M+CH3COO]- 215.049591 172.0
[M+Na-2H]- 177.010406 133.7
[M]+ 156.03519142 130.4
[M]- 156.03628858 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