CID 217331

Beta-methyl-4-piperidinophenethylamine dihydrochloride

Structural Information

Molecular Formula
C14H22N2
SMILES
CC(CN)C1=CC=C(C=C1)N2CCCCC2
InChI
InChI=1S/C14H22N2/c1-12(11-15)13-5-7-14(8-6-13)16-9-3-2-4-10-16/h5-8,12H,2-4,9-11,15H2,1H3
InChIKey
MVXCGOTUGUHJSH-UHFFFAOYSA-N
Compound name
2-(4-piperidin-1-ylphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

218.1783 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 153.3
[M+Na]+ 241.16752 156.6
[M-H]- 217.17102 156.9
[M+NH4]+ 236.21212 169.4
[M+K]+ 257.14146 153.3
[M+H-H2O]+ 201.17556 145.0
[M+HCOO]- 263.17650 171.5
[M+CH3COO]- 277.19215 191.8
[M+Na-2H]- 239.15297 155.8
[M]+ 218.17775 146.6
[M]- 218.17885 146.6
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