CID 64186606

4-chloro-6-methyl-2-{7-oxabicyclo[2.2.1]heptan-2-yl}pyrimidine

Structural Information

Molecular Formula
C11H13ClN2O
SMILES
CC1=CC(=NC(=N1)C2CC3CCC2O3)Cl
InChI
InChI=1S/C11H13ClN2O/c1-6-4-10(12)14-11(13-6)8-5-7-2-3-9(8)15-7/h4,7-9H,2-3,5H2,1H3
InChIKey
XGLCZVZAOZQCHL-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

224.07164 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.078916 149.7
[M+Na]+ 247.060858 159.7
[M-H]- 223.064364 153.9
[M+NH4]+ 242.105463 170.2
[M+K]+ 263.034798 156.3
[M+H-H2O]+ 207.068900 143.3
[M+HCOO]- 269.069841 163.8
[M+CH3COO]- 283.085491 162.6
[M+Na-2H]- 245.046306 152.3
[M]+ 224.07109142 151.7
[M]- 224.07218858 151.7
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

patents stripe