CID 1220

8-oh-dpat

Structural Information

Molecular Formula

C₁₆H₂₅NO

SMILES

CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O

InChI

InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3

InChIKey

ASXGJMSKWNBENU-UHFFFAOYSA-N

Compound name

7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3754
References: 5579
Patents: 247.19362 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	248.200896	160.2
[M+Na]+	270.182838	164.6
[M-H]-	246.186344	163.6
[M+NH4]+	265.227443	178.4
[M+K]+	286.156778	161.6
[M+H-H2O]+	230.190880	153.3
[M+HCOO]-	292.191821	179.6
[M+CH3COO]-	306.207471	200.5
[M+Na-2H]-	268.168286	163.6
[M]+	247.19307142	159.3
[M]-	247.19416858	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe