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]+ 201.07892 140.5
[M+Na]+ 223.06086 150.3
[M-H]- 199.06436 141.6
[M+NH4]+ 218.10546 158.4
[M+K]+ 239.03480 147.2
[M+H-H2O]+ 183.06890 134.0
[M+HCOO]- 245.06984 157.0
[M+CH3COO]- 259.08549 185.7
[M+Na-2H]- 221.04631 145.8
[M]+ 200.07109 144.8
[M]- 200.07219 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.