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

94
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 153.7
[M+Na]+ 241.16752 156.7
[M-H]- 217.17102 154.4
[M+NH4]+ 236.21212 168.0
[M+K]+ 257.14146 152.2
[M+H-H2O]+ 201.17556 144.5
[M+HCOO]- 263.17650 169.5
[M+CH3COO]- 277.19215 185.8
[M+Na-2H]- 239.15297 158.3
[M]+ 218.17775 147.5
[M]- 218.17885 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