CID 217335

38591-44-5

Structural Information

Molecular Formula
C16H26N2
SMILES
CC(CN(C)C)C1=CC=C(C=C1)N2CCCCC2
InChI
InChI=1S/C16H26N2/c1-14(13-17(2)3)15-7-9-16(10-8-15)18-11-5-4-6-12-18/h7-10,14H,4-6,11-13H2,1-3H3
InChIKey
AHWWMSLYBNNVNV-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(4-piperidin-1-ylphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

246.2096 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.216876 161.7
[M+Na]+ 269.198818 164.2
[M-H]- 245.202324 166.8
[M+NH4]+ 264.243423 177.5
[M+K]+ 285.172758 162.1
[M+H-H2O]+ 229.206860 152.7
[M+HCOO]- 291.207801 180.2
[M+CH3COO]- 305.223451 202.0
[M+Na-2H]- 267.184266 163.4
[M]+ 246.20905142 157.9
[M]- 246.21014858 157.9
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.