CID 54595856

2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-ol

Structural Information

Molecular Formula
C15H21ClN2O
SMILES
C1CC(C(C1)O)N2CCN(CC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H21ClN2O/c16-12-3-1-4-13(11-12)17-7-9-18(10-8-17)14-5-2-6-15(14)19/h1,3-4,11,14-15,19H,2,5-10H2
InChIKey
FXEQSSDXLIRUST-UHFFFAOYSA-N
Compound name
2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13425 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14153 167.2
[M+Na]+ 303.12347 172.5
[M-H]- 279.12697 171.6
[M+NH4]+ 298.16807 181.9
[M+K]+ 319.09741 166.5
[M+H-H2O]+ 263.13151 158.2
[M+HCOO]- 325.13245 177.4
[M+CH3COO]- 339.14810 176.6
[M+Na-2H]- 301.10892 165.9
[M]+ 280.13370 161.4
[M]- 280.13480 161.4
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

No patent data available for this compound.