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

85
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 146.5
[M+Na]+ 234.07685 154.3
[M-H]- 210.08035 148.2
[M+NH4]+ 229.12145 161.8
[M+K]+ 250.05079 149.7
[M+H-H2O]+ 194.08489 137.5
[M+HCOO]- 256.08583 159.0
[M+CH3COO]- 270.10148 157.7
[M+Na-2H]- 232.06230 151.6
[M]+ 211.08708 143.9
[M]- 211.08818 143.9
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