CID 155977784

4-methyl-2-(methylsulfanyl)-6-(prop-2-yn-1-yloxy)pyrimidine

Structural Information

Molecular Formula
C9H10N2OS
SMILES
CC1=CC(=NC(=N1)SC)OCC#C
InChI
InChI=1S/C9H10N2OS/c1-4-5-12-8-6-7(2)10-9(11-8)13-3/h1,6H,5H2,2-3H3
InChIKey
YHINTZHNBAWTMM-UHFFFAOYSA-N
Compound name
4-methyl-2-methylsulfanyl-6-prop-2-ynoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.05139 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05867 138.3
[M+Na]+ 217.04061 149.7
[M-H]- 193.04411 138.6
[M+NH4]+ 212.08521 154.2
[M+K]+ 233.01455 146.7
[M+H-H2O]+ 177.04865 125.4
[M+HCOO]- 239.04959 149.9
[M+CH3COO]- 253.06524 191.1
[M+Na-2H]- 215.02606 141.0
[M]+ 194.05084 137.0
[M]- 194.05194 137.0
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

No patent data available for this compound.