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]+ 226.11055 149.6
[M+Na]+ 248.09249 157.9
[M-H]- 224.09599 151.6
[M+NH4]+ 243.13709 166.5
[M+K]+ 264.06643 153.5
[M+H-H2O]+ 208.10053 140.9
[M+HCOO]- 270.10147 162.0
[M+CH3COO]- 284.11712 160.9
[M+Na-2H]- 246.07794 155.3
[M]+ 225.10272 147.7
[M]- 225.10382 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.