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]+ 219.185576 154.1
[M+Na]+ 241.167518 156.6
[M-H]- 217.171024 155.0
[M+NH4]+ 236.212123 168.3
[M+K]+ 257.141458 153.1
[M+H-H2O]+ 201.175560 145.3
[M+HCOO]- 263.176501 168.0
[M+CH3COO]- 277.192151 187.5
[M+Na-2H]- 239.152966 156.4
[M]+ 218.17775142 146.7
[M]- 218.17884858 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