CID 409554

1-(4-phenoxybutyl)piperazine

Structural Information

Molecular Formula
C14H22N2O
SMILES
C1CN(CCN1)CCCCOC2=CC=CC=C2
InChI
InChI=1S/C14H22N2O/c1-2-6-14(7-3-1)17-13-5-4-10-16-11-8-15-9-12-16/h1-3,6-7,15H,4-5,8-13H2
InChIKey
DYNWNUHSYNOCEW-UHFFFAOYSA-N
Compound name
1-(4-phenoxybutyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

234.17322 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 156.8
[M+Na]+ 257.16244 159.7
[M-H]- 233.16594 157.4
[M+NH4]+ 252.20704 170.4
[M+K]+ 273.13638 155.7
[M+H-H2O]+ 217.17048 147.4
[M+HCOO]- 279.17142 172.8
[M+CH3COO]- 293.18707 187.8
[M+Na-2H]- 255.14789 161.4
[M]+ 234.17267 152.0
[M]- 234.17377 152.0
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

patents stripe