CID 3072306

Piperazine, 1-(3-chlorophenyl)-4-(1-oxobutyl)-

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
CCCC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H19ClN2O/c1-2-4-14(18)17-9-7-16(8-10-17)13-6-3-5-12(15)11-13/h3,5-6,11H,2,4,7-10H2,1H3
InChIKey
RCLBORULQAJQCF-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

266.1186 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12588 161.7
[M+Na]+ 289.10782 167.8
[M-H]- 265.11132 164.4
[M+NH4]+ 284.15242 176.1
[M+K]+ 305.08176 162.9
[M+H-H2O]+ 249.11586 153.1
[M+HCOO]- 311.11680 173.8
[M+CH3COO]- 325.13245 195.7
[M+Na-2H]- 287.09327 163.6
[M]+ 266.11805 160.2
[M]- 266.11915 160.2
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