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]+ 206.16518 150.2
[M+Na]+ 228.14712 154.9
[M-H]- 204.15062 150.3
[M+NH4]+ 223.19172 164.0
[M+K]+ 244.12106 151.1
[M+H-H2O]+ 188.15516 140.9
[M+HCOO]- 250.15610 164.4
[M+CH3COO]- 264.17175 184.6
[M+Na-2H]- 226.13257 154.0
[M]+ 205.15735 143.7
[M]- 205.15845 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