CID 15407007

180869-36-7

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S

SMILES

COC(C1=NC(=NC=C1)SC)OC

InChI

InChI=1S/C8H12N2O2S/c1-11-7(12-2)6-4-5-9-8(10-6)13-3/h4-5,7H,1-3H3

InChIKey

PTYFBMBIEDVSIA-UHFFFAOYSA-N

Compound name

4-(dimethoxymethyl)-2-methylsulfanylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 250
Patents: 200.06195 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	201.06923	140.5
[M+Na]+	223.05117	149.1
[M-H]-	199.05467	141.8
[M+NH4]+	218.09577	157.9
[M+K]+	239.02511	147.6
[M+H-H2O]+	183.05921	133.3
[M+HCOO]-	245.06015	157.0
[M+CH3COO]-	259.07580	183.5
[M+Na-2H]-	221.03662	144.0
[M]+	200.06140	145.8
[M]-	200.06250	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe