CID 205878

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

Structural Information

Molecular Formula
C13H17ClN2O
SMILES
CC(=O)N1CCN(CC1)CC2=CC=CC=C2Cl
InChI
InChI=1S/C13H17ClN2O/c1-11(17)16-8-6-15(7-9-16)10-12-4-2-3-5-13(12)14/h2-5H,6-10H2,1H3
InChIKey
XABXNFMIUNTQQU-UHFFFAOYSA-N
Compound name
1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

252.10294 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11022 157.1
[M+Na]+ 275.09216 163.7
[M-H]- 251.09566 160.1
[M+NH4]+ 270.13676 172.1
[M+K]+ 291.06610 159.0
[M+H-H2O]+ 235.10020 148.8
[M+HCOO]- 297.10114 169.6
[M+CH3COO]- 311.11679 192.8
[M+Na-2H]- 273.07761 159.6
[M]+ 252.10239 155.3
[M]- 252.10349 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.