CID 23635369

2-(dodecylamino)tetralin-6-ol

Structural Information

Molecular Formula

C₂₂H₃₇NO

SMILES

CCCCCCCCCCCCNC1CCC2=C(C1)C=CC(=C2)O

InChI

InChI=1S/C22H37NO/c1-2-3-4-5-6-7-8-9-10-11-16-23-21-14-12-20-18-22(24)15-13-19(20)17-21/h13,15,18,21,23-24H,2-12,14,16-17H2,1H3

InChIKey

KJDVTOPDOJLUDU-UHFFFAOYSA-N

Compound name

6-(dodecylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 331.2875 Da
Monoisotopic Mass: 7.4
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]+	332.294776	186.6
[M+Na]+	354.276718	188.2
[M-H]-	330.280224	187.2
[M+NH4]+	349.321323	200.6
[M+K]+	370.250658	182.3
[M+H-H2O]+	314.284760	178.6
[M+HCOO]-	376.285701	203.4
[M+CH3COO]-	390.301351	215.2
[M+Na-2H]-	352.262166	187.5
[M]+	331.28695142	186.5
[M]-	331.28804858	186.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.