CID 693767

1-(5-chloro-2-methylphenyl)piperazine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

378
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

literature stripe

Patent stripe

patents stripe