CID 2760351

1-(3-phenoxypropyl)piperazine

Structural Information

Molecular Formula
C13H20N2O
SMILES
C1CN(CCN1)CCCOC2=CC=CC=C2
InChI
InChI=1S/C13H20N2O/c1-2-5-13(6-3-1)16-12-4-9-15-10-7-14-8-11-15/h1-3,5-6,14H,4,7-12H2
InChIKey
JCMMXVUEJTZCIS-UHFFFAOYSA-N
Compound name
1-(3-phenoxypropyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

220.15756 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 152.4
[M+Na]+ 243.14678 155.8
[M-H]- 219.15028 153.2
[M+NH4]+ 238.19138 166.5
[M+K]+ 259.12072 152.0
[M+H-H2O]+ 203.15482 143.2
[M+HCOO]- 265.15576 168.8
[M+CH3COO]- 279.17141 184.8
[M+Na-2H]- 241.13223 157.5
[M]+ 220.15701 147.3
[M]- 220.15811 147.3
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