CID 22308337

2-chloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine

Structural Information

Molecular Formula
C11H16ClN3
SMILES
CC1(CCCN(C1)C2=NC(=NC=C2)Cl)C
InChI
InChI=1S/C11H16ClN3/c1-11(2)5-3-7-15(8-11)9-4-6-13-10(12)14-9/h4,6H,3,5,7-8H2,1-2H3
InChIKey
CBURTKTWKGUOHK-UHFFFAOYSA-N
Compound name
2-chloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10327 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.110546 149.6
[M+Na]+ 248.092488 157.9
[M-H]- 224.095994 151.6
[M+NH4]+ 243.137093 166.5
[M+K]+ 264.066428 153.5
[M+H-H2O]+ 208.100530 140.9
[M+HCOO]- 270.101471 162.0
[M+CH3COO]- 284.117121 160.9
[M+Na-2H]- 246.077936 155.3
[M]+ 225.10272142 147.7
[M]- 225.10381858 147.7
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.