CID 3079546

Alpha-methyl-4-(3-(1-piperidinyl)propoxy)benzeneethanamine dihydrochloride hydrate

Structural Information

Molecular Formula
C17H28N2O
SMILES
CC(CC1=CC=C(C=C1)OCCCN2CCCCC2)N
InChI
InChI=1S/C17H28N2O/c1-15(18)14-16-6-8-17(9-7-16)20-13-5-12-19-10-3-2-4-11-19/h6-9,15H,2-5,10-14,18H2,1H3
InChIKey
RCBDVIPAZNXVSM-UHFFFAOYSA-N
Compound name
1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.22015 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.22743 170.2
[M+Na]+ 299.20937 180.6
[M+NH4]+ 294.25397 178.0
[M+K]+ 315.18331 173.0
[M-H]- 275.21287 174.2
[M+Na-2H]- 297.19482 176.2
[M]+ 276.21960 172.6
[M]- 276.22070 172.6
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

No patent data available for this compound.