CID 155977784

2407717-86-4

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]+ 195.058666 138.3
[M+Na]+ 217.040608 149.7
[M-H]- 193.044114 138.6
[M+NH4]+ 212.085213 154.2
[M+K]+ 233.014548 146.7
[M+H-H2O]+ 177.048650 125.4
[M+HCOO]- 239.049591 149.9
[M+CH3COO]- 253.065241 191.1
[M+Na-2H]- 215.026056 141.0
[M]+ 194.05084142 137.0
[M]- 194.05193858 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.