CID 3069992

1-piperidineethanamine, n-(4-cyclopentylphenyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H28N2
SMILES
C1CCN(CC1)CCNC2=CC=C(C=C2)C3CCCC3
InChI
InChI=1S/C18H28N2/c1-4-13-20(14-5-1)15-12-19-18-10-8-17(9-11-18)16-6-2-3-7-16/h8-11,16,19H,1-7,12-15H2
InChIKey
VZLLFCYXYUHPNI-UHFFFAOYSA-N
Compound name
4-cyclopentyl-N-(2-piperidin-1-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.22525 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.23253 167.2
[M+Na]+ 295.21447 168.1
[M-H]- 271.21797 173.3
[M+NH4]+ 290.25907 182.5
[M+K]+ 311.18841 163.5
[M+H-H2O]+ 255.22251 157.4
[M+HCOO]- 317.22345 184.9
[M+CH3COO]- 331.23910 176.1
[M+Na-2H]- 293.19992 167.5
[M]+ 272.22470 158.8
[M]- 272.22580 158.8
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