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

225
Patents

249.18411 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.191386 160.9
[M+Na]+ 272.173328 165.4
[M-H]- 248.176834 163.3
[M+NH4]+ 267.217933 174.7
[M+K]+ 288.147268 161.9
[M+H-H2O]+ 232.181370 151.4
[M+HCOO]- 294.182311 178.9
[M+CH3COO]- 308.197961 196.9
[M+Na-2H]- 270.158776 164.0
[M]+ 249.18356142 157.2
[M]- 249.18465858 157.2
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