CID 16740843

2-methyl-5-phenylpiperazine dihydrochloride

Structural Information

Molecular Formula
C11H16N2
SMILES
CC1CNC(CN1)C2=CC=CC=C2
InChI
InChI=1S/C11H16N2/c1-9-7-13-11(8-12-9)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3
InChIKey
GBEIREVJIUGSDR-UHFFFAOYSA-N
Compound name
2-methyl-5-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

176.13135 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.138626 141.3
[M+Na]+ 199.120568 146.2
[M-H]- 175.124074 141.6
[M+NH4]+ 194.165173 157.0
[M+K]+ 215.094508 141.5
[M+H-H2O]+ 159.128610 133.4
[M+HCOO]- 221.129551 156.7
[M+CH3COO]- 235.145201 151.6
[M+Na-2H]- 197.106016 146.3
[M]+ 176.13080142 132.7
[M]- 176.13189858 132.7
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