CID 580769

1-[(2-chlorophenyl)methyl]piperazine

Structural Information

Molecular Formula
C11H15ClN2
SMILES
C1CN(CCN1)CC2=CC=CC=C2Cl
InChI
InChI=1S/C11H15ClN2/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
InChIKey
JOWPEBYCPPLVNX-UHFFFAOYSA-N
Compound name
1-[(2-chlorophenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

156
Patents

210.09238 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09966 146.5
[M+Na]+ 233.08160 152.5
[M-H]- 209.08510 147.8
[M+NH4]+ 228.12620 162.3
[M+K]+ 249.05554 147.0
[M+H-H2O]+ 193.08964 138.5
[M+HCOO]- 255.09058 158.7
[M+CH3COO]- 269.10623 157.0
[M+Na-2H]- 231.06705 151.4
[M]+ 210.09183 141.6
[M]- 210.09293 141.6
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