CID 4567820

2-methanesulfonylpyrimidin-5-ol

Structural Information

Molecular Formula
C5H6N2O3S
SMILES
CS(=O)(=O)C1=NC=C(C=N1)O
InChI
InChI=1S/C5H6N2O3S/c1-11(9,10)5-6-2-4(8)3-7-5/h2-3,8H,1H3
InChIKey
ZWBVWXWEOSZANB-UHFFFAOYSA-N
Compound name
2-methylsulfonylpyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.00992 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01720 131.7
[M+Na]+ 196.99914 142.2
[M-H]- 173.00264 132.3
[M+NH4]+ 192.04374 149.3
[M+K]+ 212.97308 139.6
[M+H-H2O]+ 157.00718 125.8
[M+HCOO]- 219.00812 147.7
[M+CH3COO]- 233.02377 171.8
[M+Na-2H]- 194.98459 138.0
[M]+ 174.00937 134.1
[M]- 174.01047 134.1
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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