CID 61728034

4-(piperidin-4-yl)-2-(propan-2-yl)pyrimidine dihydrochloride

Structural Information

Molecular Formula
C12H19N3
SMILES
CC(C)C1=NC=CC(=N1)C2CCNCC2
InChI
InChI=1S/C12H19N3/c1-9(2)12-14-8-5-11(15-12)10-3-6-13-7-4-10/h5,8-10,13H,3-4,6-7H2,1-2H3
InChIKey
KIJQVAOQKYRCOH-UHFFFAOYSA-N
Compound name
4-piperidin-4-yl-2-propan-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.1579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.165176 150.2
[M+Na]+ 228.147118 154.9
[M-H]- 204.150624 150.3
[M+NH4]+ 223.191723 164.0
[M+K]+ 244.121058 151.1
[M+H-H2O]+ 188.155160 140.9
[M+HCOO]- 250.156101 164.4
[M+CH3COO]- 264.171751 184.6
[M+Na-2H]- 226.132566 154.0
[M]+ 205.15735142 143.7
[M]- 205.15844858 143.7
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

patents stripe