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

92
Patents

218.1783 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 155.0
[M+Na]+ 241.16752 167.3
[M+NH4]+ 236.21212 163.5
[M+K]+ 257.14146 158.8
[M-H]- 217.17102 158.3
[M+Na-2H]- 239.15297 162.5
[M]+ 218.17775 157.6
[M]- 218.17885 157.6
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