CID 28283030

202991-78-4

Structural Information

Molecular Formula

C₁₂H₂₅N₃

SMILES

CC(C)N1CCN(CC1)C2CCNCC2

InChI

InChI=1S/C12H25N3/c1-11(2)14-7-9-15(10-8-14)12-3-5-13-6-4-12/h11-13H,3-10H2,1-2H3

InChIKey

PXULXXQIHKDVRK-UHFFFAOYSA-N

Compound name

1-piperidin-4-yl-4-propan-2-ylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 211.20485 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.21213	156.1
[M+Na]+	234.19407	157.6
[M-H]-	210.19757	155.0
[M+NH4]+	229.23867	169.3
[M+K]+	250.16801	154.7
[M+H-H2O]+	194.20211	146.6
[M+HCOO]-	256.20305	165.8
[M+CH3COO]-	270.21870	185.8
[M+Na-2H]-	232.17952	156.5
[M]+	211.20430	145.3
[M]-	211.20540	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe