CID 17750438

324748-62-1

Structural Information

Molecular Formula
C14H22N2
SMILES
CC(C)[C@H]1CN(CCN1)CC2=CC=CC=C2
InChI
InChI=1S/C14H22N2/c1-12(2)14-11-16(9-8-15-14)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t14-/m1/s1
InChIKey
HPOGZEGDXGTDSX-CQSZACIVSA-N
Compound name
(3S)-1-benzyl-3-propan-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
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 154.2
[M+Na]+ 241.167518 158.0
[M-H]- 217.171024 155.4
[M+NH4]+ 236.212123 168.8
[M+K]+ 257.141458 153.9
[M+H-H2O]+ 201.175560 145.4
[M+HCOO]- 263.176501 169.0
[M+CH3COO]- 277.192151 187.8
[M+Na-2H]- 239.152966 156.9
[M]+ 218.17775142 147.8
[M]- 218.17884858 147.8
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