CID 2737126

1-(4-phenylbutyl)piperazine

Structural Information

Molecular Formula
C14H22N2
SMILES
C1CN(CCN1)CCCCC2=CC=CC=C2
InChI
InChI=1S/C14H22N2/c1-2-6-14(7-3-1)8-4-5-11-16-12-9-15-10-13-16/h1-3,6-7,15H,4-5,8-13H2
InChIKey
OHFQSNUBVNIZRV-UHFFFAOYSA-N
Compound name
1-(4-phenylbutyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

218.1783 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.185576 153.7
[M+Na]+ 241.167518 156.7
[M-H]- 217.171024 154.4
[M+NH4]+ 236.212123 168.0
[M+K]+ 257.141458 152.2
[M+H-H2O]+ 201.175560 144.5
[M+HCOO]- 263.176501 169.5
[M+CH3COO]- 277.192151 185.8
[M+Na-2H]- 239.152966 158.3
[M]+ 218.17775142 147.5
[M]- 218.17884858 147.5
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