CID 64386329

8-ethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CCC1=CC=CC2=C1CNCC2

InChI

InChI=1S/C11H15N/c1-2-9-4-3-5-10-6-7-12-8-11(9)10/h3-5,12H,2,6-8H2,1H3

InChIKey

NZHXNXKDRZHWNE-UHFFFAOYSA-N

Compound name

8-ethyl-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 161.12045 Da
Monoisotopic Mass: 2.1
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]+	162.127726	135.0
[M+Na]+	184.109668	141.5
[M-H]-	160.113174	136.2
[M+NH4]+	179.154273	154.9
[M+K]+	200.083608	137.7
[M+H-H2O]+	144.117710	128.6
[M+HCOO]-	206.118651	153.2
[M+CH3COO]-	220.134301	147.2
[M+Na-2H]-	182.095116	142.3
[M]+	161.11990142	130.5
[M]-	161.12099858	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe