CID 10999903

21103-33-3

Structural Information

Molecular Formula

C₁₅H₂₅N₃O

SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCN

InChI

InChI=1S/C15H25N3O/c1-19-15-7-3-2-6-14(15)18-12-10-17(11-13-18)9-5-4-8-16/h2-3,6-7H,4-5,8-13,16H2,1H3

InChIKey

UFJPFLDFMPVGRW-UHFFFAOYSA-N

Compound name

4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 208
Patents: 263.19977 Da
Monoisotopic Mass: 1.6
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]+	264.20705	165.4
[M+Na]+	286.18899	176.6
[M+NH4]+	281.23359	172.7
[M+K]+	302.16293	169.2
[M-H]-	262.19249	168.8
[M+Na-2H]-	284.17444	171.4
[M]+	263.19922	167.7
[M]-	263.20032	167.7

Literature stripe

literature stripe

Patent stripe

patents stripe