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]+ 248.200896 160.2
[M+Na]+ 270.182838 164.0
[M-H]- 246.186344 164.6
[M+NH4]+ 265.227443 178.8
[M+K]+ 286.156778 161.8
[M+H-H2O]+ 230.190880 152.6
[M+HCOO]- 292.191821 181.1
[M+CH3COO]- 306.207471 202.0
[M+Na-2H]- 268.168286 164.6
[M]+ 247.19307142 160.7
[M]- 247.19416858 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.