CID 15519085

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

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CCC1=CC2=C(CNCC2)C=C1

InChI

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

InChIKey

YHRQYEUTUFPNKY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 161.12045 Da
Monoisotopic Mass: 2.4
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]+	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

literature stripe

Patent stripe

patents stripe