CID 10999903

1-(4-aminobutyl)-4-(2-methoxyphenyl)piperazine

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

198
Patents

263.19977 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.20705 165.3
[M+Na]+ 286.18899 169.3
[M-H]- 262.19249 167.4
[M+NH4]+ 281.23359 178.5
[M+K]+ 302.16293 165.6
[M+H-H2O]+ 246.19703 155.6
[M+HCOO]- 308.19797 183.0
[M+CH3COO]- 322.21362 199.9
[M+Na-2H]- 284.17444 167.8
[M]+ 263.19922 161.9
[M]- 263.20032 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.