CID 98289

1-(4-chlorophenyl)-2-methylpiperazine

Structural Information

Molecular Formula
C11H15ClN2
SMILES
CC1CNCCN1C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H15ClN2/c1-9-8-13-6-7-14(9)11-4-2-10(12)3-5-11/h2-5,9,13H,6-8H2,1H3
InChIKey
YOOLKLKIUUTLFC-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

462
Patents

210.09238 Da
Monoisotopic Mass

2.4
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

literature stripe

Patent stripe

patents stripe