CID 64186606

1344016-79-0

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

0
Patents

224.07164 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07892 149.7
[M+Na]+ 247.06086 159.7
[M-H]- 223.06436 153.9
[M+NH4]+ 242.10546 170.2
[M+K]+ 263.03480 156.3
[M+H-H2O]+ 207.06890 143.3
[M+HCOO]- 269.06984 163.8
[M+CH3COO]- 283.08549 162.6
[M+Na-2H]- 245.04631 152.3
[M]+ 224.07109 151.7
[M]- 224.07219 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

No patent data available for this compound.