CID 3069995

1-piperidinepropanamine, n-(4-cyclopentylphenyl)-, hydrochloride, hydrate (2:4:1)

Structural Information

Molecular Formula
C19H30N2
SMILES
C1CCN(CC1)CCCNC2=CC=C(C=C2)C3CCCC3
InChI
InChI=1S/C19H30N2/c1-4-14-21(15-5-1)16-6-13-20-19-11-9-18(10-12-19)17-7-2-3-8-17/h9-12,17,20H,1-8,13-16H2
InChIKey
MUACZURLEGPUIV-UHFFFAOYSA-N
Compound name
4-cyclopentyl-N-(3-piperidin-1-ylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2409 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.24818 171.6
[M+Na]+ 309.23012 172.0
[M-H]- 285.23362 177.4
[M+NH4]+ 304.27472 186.3
[M+K]+ 325.20406 167.2
[M+H-H2O]+ 269.23816 161.6
[M+HCOO]- 331.23910 188.9
[M+CH3COO]- 345.25475 180.0
[M+Na-2H]- 307.21557 171.3
[M]+ 286.24035 163.5
[M]- 286.24145 163.5
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