CID 64924421

1-phenyl-3-(propan-2-yl)piperazine

Structural Information

Molecular Formula
C13H20N2
SMILES
CC(C)C1CN(CCN1)C2=CC=CC=C2
InChI
InChI=1S/C13H20N2/c1-11(2)13-10-15(9-8-14-13)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3
InChIKey
PAGHICNGHPHTLW-UHFFFAOYSA-N
Compound name
1-phenyl-3-propan-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.16264 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 149.7
[M+Na]+ 227.15186 153.9
[M-H]- 203.15536 151.1
[M+NH4]+ 222.19646 164.9
[M+K]+ 243.12580 150.1
[M+H-H2O]+ 187.15990 141.2
[M+HCOO]- 249.16084 164.9
[M+CH3COO]- 263.17649 184.8
[M+Na-2H]- 225.13731 152.9
[M]+ 204.16209 143.0
[M]- 204.16319 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