CID 100852

1-(4-chloro-2-methylphenyl)piperazine hydrochloride

Structural Information

Molecular Formula
C11H15ClN2
SMILES
CC1=C(C=CC(=C1)Cl)N2CCNCC2
InChI
InChI=1S/C11H15ClN2/c1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKey
MXEFOSLEAQWWDM-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-methylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

210.09238 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.099656 146.7
[M+Na]+ 233.081598 153.7
[M-H]- 209.085104 148.4
[M+NH4]+ 228.126203 162.9
[M+K]+ 249.055538 148.2
[M+H-H2O]+ 193.089640 139.0
[M+HCOO]- 255.090581 158.9
[M+CH3COO]- 269.106231 157.6
[M+Na-2H]- 231.067046 150.9
[M]+ 210.09183142 142.2
[M]- 210.09292858 142.2
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