CID 62482513

4-(butan-2-yloxy)-6-chloro-2-methylpyrimidine

Structural Information

Molecular Formula
C9H13ClN2O
SMILES
CCC(C)OC1=CC(=NC(=N1)C)Cl
InChI
InChI=1S/C9H13ClN2O/c1-4-6(2)13-9-5-8(10)11-7(3)12-9/h5-6H,4H2,1-3H3
InChIKey
RNJQNJGTUUSIIQ-UHFFFAOYSA-N
Compound name
4-butan-2-yloxy-6-chloro-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.07164 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.078916 140.5
[M+Na]+ 223.060858 150.3
[M-H]- 199.064364 141.6
[M+NH4]+ 218.105463 158.4
[M+K]+ 239.034798 147.2
[M+H-H2O]+ 183.068900 134.0
[M+HCOO]- 245.069841 157.0
[M+CH3COO]- 259.085491 185.7
[M+Na-2H]- 221.046306 145.8
[M]+ 200.07109142 144.8
[M]- 200.07218858 144.8
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.