CID 14156348

4487-05-2

Structural Information

Molecular Formula

C₁₅H₂₅N₃

SMILES

C1CN(CCN1CCCCN)CC2=CC=CC=C2

InChI

InChI=1S/C15H25N3/c16-8-4-5-9-17-10-12-18(13-11-17)14-15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14,16H2

InChIKey

CELVPVTXKMNJMA-UHFFFAOYSA-N

Compound name

4-(4-benzylpiperazin-1-yl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 247.20485 Da
Monoisotopic Mass: 1.3
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]+	248.21213	161.7
[M+Na]+	270.19407	164.9
[M-H]-	246.19757	163.4
[M+NH4]+	265.23867	175.3
[M+K]+	286.16801	160.5
[M+H-H2O]+	230.20211	151.9
[M+HCOO]-	292.20305	179.2
[M+CH3COO]-	306.21870	196.7
[M+Na-2H]-	268.17952	165.0
[M]+	247.20430	156.5
[M]-	247.20540	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe