CID 62749372

[2-(methylsulfonylmethyl)pyrimidin-4-yl]methanol

Structural Information

Molecular Formula
C7H10N2O3S
SMILES
CS(=O)(=O)CC1=NC=CC(=N1)CO
InChI
InChI=1S/C7H10N2O3S/c1-13(11,12)5-7-8-3-2-6(4-10)9-7/h2-3,10H,4-5H2,1H3
InChIKey
AKTZEPUXVRQSKV-UHFFFAOYSA-N
Compound name
[2-(methylsulfonylmethyl)pyrimidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

202.04121 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04849 140.5
[M+Na]+ 225.03043 150.2
[M-H]- 201.03393 140.8
[M+NH4]+ 220.07503 157.0
[M+K]+ 241.00437 147.1
[M+H-H2O]+ 185.03847 134.2
[M+HCOO]- 247.03941 155.9
[M+CH3COO]- 261.05506 177.8
[M+Na-2H]- 223.01588 145.8
[M]+ 202.04066 143.6
[M]- 202.04176 143.6
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