CID 204258

16018-29-4

Structural Information

Molecular Formula
C21H36N2
SMILES
CCCCCCCCN1CCN(CC1)C(C)CC2=CC=CC=C2
InChI
InChI=1S/C21H36N2/c1-3-4-5-6-7-11-14-22-15-17-23(18-16-22)20(2)19-21-12-9-8-10-13-21/h8-10,12-13,20H,3-7,11,14-19H2,1-2H3
InChIKey
SJWSKAOOHZVZAZ-UHFFFAOYSA-N
Compound name
1-octyl-4-(1-phenylpropan-2-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.28784 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.29512 184.9
[M+Na]+ 339.27706 185.9
[M-H]- 315.28056 186.0
[M+NH4]+ 334.32166 196.1
[M+K]+ 355.25100 181.0
[M+H-H2O]+ 299.28510 174.3
[M+HCOO]- 361.28604 198.8
[M+CH3COO]- 375.30169 211.2
[M+Na-2H]- 337.26251 184.2
[M]+ 316.28729 182.8
[M]- 316.28839 182.8
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

No patent data available for this compound.