CID 213813

27078-40-6

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]+ 250.21654 165.0
[M+Na]+ 272.19848 168.1
[M-H]- 248.20198 168.7
[M+NH4]+ 267.24308 182.4
[M+K]+ 288.17242 167.3
[M+H-H2O]+ 232.20652 157.4
[M+HCOO]- 294.20746 186.9
[M+CH3COO]- 308.22311 204.5
[M+Na-2H]- 270.18393 166.3
[M]+ 249.20871 168.1
[M]- 249.20981 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.