CID 21939227

2-chloro-4-(4-methylpiperidin-1-yl)pyrimidine

Structural Information

Molecular Formula
C10H14ClN3
SMILES
CC1CCN(CC1)C2=NC(=NC=C2)Cl
InChI
InChI=1S/C10H14ClN3/c1-8-3-6-14(7-4-8)9-2-5-12-10(11)13-9/h2,5,8H,3-4,6-7H2,1H3
InChIKey
LQEQJGAJOSEQFL-UHFFFAOYSA-N
Compound name
2-chloro-4-(4-methylpiperidin-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

211.08763 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09491 145.9
[M+Na]+ 234.07685 160.9
[M+NH4]+ 229.12145 154.8
[M+K]+ 250.05079 152.8
[M-H]- 210.08035 149.1
[M+Na-2H]- 232.06230 154.2
[M]+ 211.08708 149.3
[M]- 211.08818 149.3
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