CID 100852

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

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

127
Patents

210.09238 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09966 146.7
[M+Na]+ 233.08160 153.7
[M-H]- 209.08510 148.4
[M+NH4]+ 228.12620 162.9
[M+K]+ 249.05554 148.2
[M+H-H2O]+ 193.08964 139.0
[M+HCOO]- 255.09058 158.9
[M+CH3COO]- 269.10623 157.6
[M+Na-2H]- 231.06705 150.9
[M]+ 210.09183 142.2
[M]- 210.09293 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