CID 20603

4512-82-7

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CCN1CCC2=C(C1)C=CC=C2O

InChI

InChI=1S/C11H15NO/c1-2-12-7-6-10-9(8-12)4-3-5-11(10)13/h3-5,13H,2,6-8H2,1H3

InChIKey

HBBJXWLOXRIJRG-UHFFFAOYSA-N

Compound name

2-ethyl-3,4-dihydro-1H-isoquinolin-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 177.11537 Da
Monoisotopic Mass: 1.8
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]+	178.12265	138.4
[M+Na]+	200.10459	151.8
[M+NH4]+	195.14919	147.9
[M+K]+	216.07853	144.5
[M-H]-	176.10809	140.9
[M+Na-2H]-	198.09004	144.6
[M]+	177.11482	141.0
[M]-	177.11592	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe