CID 205269

Piperazine, 1-butyryl-4-(o-chlorobenzyl)-, hydrochloride

Structural Information

Molecular Formula
C15H21ClN2O
SMILES
CCCC(=O)N1CCN(CC1)CC2=CC=CC=C2Cl
InChI
InChI=1S/C15H21ClN2O/c1-2-5-15(19)18-10-8-17(9-11-18)12-13-6-3-4-7-14(13)16/h3-4,6-7H,2,5,8-12H2,1H3
InChIKey
AZTHCQVYHOXJJH-UHFFFAOYSA-N
Compound name
1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13425 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14153 165.9
[M+Na]+ 303.12347 179.3
[M+NH4]+ 298.16807 173.9
[M+K]+ 319.09741 171.1
[M-H]- 279.12697 168.9
[M+Na-2H]- 301.10892 172.5
[M]+ 280.13370 168.9
[M]- 280.13480 168.9
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.