CID 16748803

1-(2-phenylpropan-2-yl)piperazine dihydrochloride

Structural Information

Molecular Formula
C13H20N2
SMILES
CC(C)(C1=CC=CC=C1)N2CCNCC2
InChI
InChI=1S/C13H20N2/c1-13(2,12-6-4-3-5-7-12)15-10-8-14-9-11-15/h3-7,14H,8-11H2,1-2H3
InChIKey
MMUMHCHGKODAIZ-UHFFFAOYSA-N
Compound name
1-(2-phenylpropan-2-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

204.16264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.169916 149.9
[M+Na]+ 227.151858 153.9
[M-H]- 203.155364 151.2
[M+NH4]+ 222.196463 165.0
[M+K]+ 243.125798 150.1
[M+H-H2O]+ 187.159900 141.7
[M+HCOO]- 249.160841 164.5
[M+CH3COO]- 263.176491 183.2
[M+Na-2H]- 225.137306 155.7
[M]+ 204.16209142 143.0
[M]- 204.16318858 143.0
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