CID 148428

41840-28-2

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
CC1=CC(=NC(=N1)SC(=O)OC(C)(C)C)C
InChI
InChI=1S/C11H16N2O2S/c1-7-6-8(2)13-9(12-7)16-10(14)15-11(3,4)5/h6H,1-5H3
InChIKey
POTDIELOEHTPJN-UHFFFAOYSA-N
Compound name
tert-butyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

286
Patents

240.09325 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.100526 154.1
[M+Na]+ 263.082468 163.3
[M-H]- 239.085974 155.8
[M+NH4]+ 258.127073 170.5
[M+K]+ 279.056408 160.9
[M+H-H2O]+ 223.090510 147.4
[M+HCOO]- 285.091451 168.3
[M+CH3COO]- 299.107101 191.1
[M+Na-2H]- 261.067916 156.3
[M]+ 240.09270142 159.5
[M]- 240.09379858 159.5
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

patents stripe