CID 213813

N,n-diethyl-2-(2-phenylpropoxy)propan-1-amine

Structural Information

Molecular Formula
C16H27NO
SMILES
CCN(CC)CC(C)OCC(C)C1=CC=CC=C1
InChI
InChI=1S/C16H27NO/c1-5-17(6-2)12-15(4)18-13-14(3)16-10-8-7-9-11-16/h7-11,14-15H,5-6,12-13H2,1-4H3
InChIKey
TVWXPPPJLSLWLK-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(2-phenylpropoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.20926 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.216536 165.0
[M+Na]+ 272.198478 168.1
[M-H]- 248.201984 168.7
[M+NH4]+ 267.243083 182.4
[M+K]+ 288.172418 167.3
[M+H-H2O]+ 232.206520 157.4
[M+HCOO]- 294.207461 186.9
[M+CH3COO]- 308.223111 204.5
[M+Na-2H]- 270.183926 166.3
[M]+ 249.20871142 168.1
[M]- 249.20980858 168.1
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.