CID 213816

Brn 3316585

Structural Information

Molecular Formula
C16H25NO
SMILES
CCN(CC)CCOC1CCC2=CC=CC=C2C1
InChI
InChI=1S/C16H25NO/c1-3-17(4-2)11-12-18-16-10-9-14-7-5-6-8-15(14)13-16/h5-8,16H,3-4,9-13H2,1-2H3
InChIKey
SOJZMSRSNAKPPE-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(1,2,3,4-tetrahydronaphthalen-2-yloxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 160.2
[M+Na]+ 270.18284 164.0
[M-H]- 246.18634 164.6
[M+NH4]+ 265.22744 178.8
[M+K]+ 286.15678 161.8
[M+H-H2O]+ 230.19088 152.6
[M+HCOO]- 292.19182 181.1
[M+CH3COO]- 306.20747 202.0
[M+Na-2H]- 268.16829 164.6
[M]+ 247.19307 160.7
[M]- 247.19417 160.7
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.