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

5
Patents

202.04121 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.048486 140.5
[M+Na]+ 225.030428 150.2
[M-H]- 201.033934 140.8
[M+NH4]+ 220.075033 157.0
[M+K]+ 241.004368 147.1
[M+H-H2O]+ 185.038470 134.2
[M+HCOO]- 247.039411 155.9
[M+CH3COO]- 261.055061 177.8
[M+Na-2H]- 223.015876 145.8
[M]+ 202.04066142 143.6
[M]- 202.04175858 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