CID 20607

4512-85-0

Structural Information

Molecular Formula

C₁₁H₂₁NO

SMILES

CCN1CCC2C(C1)CCCC2O

InChI

InChI=1S/C11H21NO/c1-2-12-7-6-10-9(8-12)4-3-5-11(10)13/h9-11,13H,2-8H2,1H3

InChIKey

SIIVDVCPUJLGRR-UHFFFAOYSA-N

Compound name

2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 183.16231 Da
Monoisotopic Mass: 1.5
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]+	184.169586	144.0
[M+Na]+	206.151528	148.2
[M-H]-	182.155034	144.3
[M+NH4]+	201.196133	162.9
[M+K]+	222.125468	145.5
[M+H-H2O]+	166.159570	137.5
[M+HCOO]-	228.160511	157.8
[M+CH3COO]-	242.176161	180.9
[M+Na-2H]-	204.136976	147.3
[M]+	183.16176142	136.9
[M]-	183.16285858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe