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]+ 264.207046 165.3
[M+Na]+ 286.188988 169.3
[M-H]- 262.192494 167.4
[M+NH4]+ 281.233593 178.5
[M+K]+ 302.162928 165.6
[M+H-H2O]+ 246.197030 155.6
[M+HCOO]- 308.197971 183.0
[M+CH3COO]- 322.213621 199.9
[M+Na-2H]- 284.174436 167.8
[M]+ 263.19922142 161.9
[M]- 263.20031858 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

literature stripe

Patent stripe

patents stripe