CID 767567

3-cyclopentyl-1-(piperazin-1-yl)propan-1-one hydrochloride

Structural Information

Molecular Formula
C12H22N2O
SMILES
C1CCC(C1)CCC(=O)N2CCNCC2
InChI
InChI=1S/C12H22N2O/c15-12(14-9-7-13-8-10-14)6-5-11-3-1-2-4-11/h11,13H,1-10H2
InChIKey
PUCYMVZANVWWKV-UHFFFAOYSA-N
Compound name
3-cyclopentyl-1-piperazin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

210.17322 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18050 153.6
[M+Na]+ 233.16244 155.3
[M-H]- 209.16594 154.0
[M+NH4]+ 228.20704 169.7
[M+K]+ 249.13638 152.6
[M+H-H2O]+ 193.17048 145.0
[M+HCOO]- 255.17142 167.3
[M+CH3COO]- 269.18707 181.9
[M+Na-2H]- 231.14789 153.1
[M]+ 210.17267 144.6
[M]- 210.17377 144.6
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

patents stripe