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

167
Patents

206.15315 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.16043 149.3
[M+Na]+ 229.14237 162.2
[M+NH4]+ 224.18697 156.8
[M+K]+ 245.11631 155.7
[M-H]- 205.14587 151.3
[M+Na-2H]- 227.12782 156.6
[M]+ 206.15260 151.6
[M]- 206.15370 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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