CID 10467259

20529-23-1

Structural Information

Molecular Formula
C14H23N3O
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCN
InChI
InChI=1S/C14H23N3O/c1-18-14-6-3-2-5-13(14)17-11-9-16(10-12-17)8-4-7-15/h2-3,5-6H,4,7-12,15H2,1H3
InChIKey
OVGGXHMQXIQOBR-UHFFFAOYSA-N
Compound name
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

249.18411 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.19139 160.9
[M+Na]+ 272.17333 172.3
[M+NH4]+ 267.21793 168.4
[M+K]+ 288.14727 165.2
[M-H]- 248.17683 164.3
[M+Na-2H]- 270.15878 167.2
[M]+ 249.18356 163.3
[M]- 249.18466 163.3
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