CID 22458711

4-phenyl-1-(piperazin-1-yl)butan-1-one hydrochloride

Structural Information

Molecular Formula
C14H20N2O
SMILES
C1CN(CCN1)C(=O)CCCC2=CC=CC=C2
InChI
InChI=1S/C14H20N2O/c17-14(16-11-9-15-10-12-16)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,15H,4,7-12H2
InChIKey
SPXDRRAPPNTVJZ-UHFFFAOYSA-N
Compound name
4-phenyl-1-piperazin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

232.15756 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 156.4
[M+Na]+ 255.14678 159.5
[M-H]- 231.15028 157.3
[M+NH4]+ 250.19138 170.0
[M+K]+ 271.12072 155.4
[M+H-H2O]+ 215.15482 147.3
[M+HCOO]- 277.15576 171.7
[M+CH3COO]- 291.17141 187.2
[M+Na-2H]- 253.13223 159.8
[M]+ 232.15701 150.3
[M]- 232.15811 150.3
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