CID 213372

26281-52-7

Structural Information

Molecular Formula
C16H27NO
SMILES
CCN(CC)CCOCCCCC1=CC=CC=C1
InChI
InChI=1S/C16H27NO/c1-3-17(4-2)13-15-18-14-9-8-12-16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
InChIKey
BEKBJUZTMZURQX-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(4-phenylbutoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.20926 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.216536 164.0
[M+Na]+ 272.198478 167.6
[M-H]- 248.201984 167.5
[M+NH4]+ 267.243083 181.5
[M+K]+ 288.172418 165.8
[M+H-H2O]+ 232.206520 156.2
[M+HCOO]- 294.207461 187.9
[M+CH3COO]- 308.223111 202.8
[M+Na-2H]- 270.183926 167.8
[M]+ 249.20871142 168.4
[M]- 249.20980858 168.4
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.