CID 13375504

2-[4-(propan-2-yl)piperazin-1-yl]pyrimidine

Structural Information

Molecular Formula
C11H18N4
SMILES
CC(C)N1CCN(CC1)C2=NC=CC=N2
InChI
InChI=1S/C11H18N4/c1-10(2)14-6-8-15(9-7-14)11-12-4-3-5-13-11/h3-5,10H,6-9H2,1-2H3
InChIKey
JMSBGUKOMZSBMF-UHFFFAOYSA-N
Compound name
2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

206.15315 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.160426 150.3
[M+Na]+ 229.142368 155.9
[M-H]- 205.145874 150.4
[M+NH4]+ 224.186973 163.2
[M+K]+ 245.116308 152.9
[M+H-H2O]+ 189.150410 139.9
[M+HCOO]- 251.151351 164.8
[M+CH3COO]- 265.167001 160.2
[M+Na-2H]- 227.127816 155.0
[M]+ 206.15260142 145.7
[M]- 206.15369858 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe