CID 63193914

1-(2-methyl-1-phenylpropyl)piperazine

Structural Information

Molecular Formula
C14H22N2
SMILES
CC(C)C(C1=CC=CC=C1)N2CCNCC2
InChI
InChI=1S/C14H22N2/c1-12(2)14(13-6-4-3-5-7-13)16-10-8-15-9-11-16/h3-7,12,14-15H,8-11H2,1-2H3
InChIKey
LYOGHBFYBNAXAE-UHFFFAOYSA-N
Compound name
1-(2-methyl-1-phenylpropyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

218.1783 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 154.1
[M+Na]+ 241.16752 156.6
[M-H]- 217.17102 155.0
[M+NH4]+ 236.21212 168.3
[M+K]+ 257.14146 153.1
[M+H-H2O]+ 201.17556 145.3
[M+HCOO]- 263.17650 168.0
[M+CH3COO]- 277.19215 187.5
[M+Na-2H]- 239.15297 156.4
[M]+ 218.17775 146.7
[M]- 218.17885 146.7
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