CID 67962495

5-ethyl-1,2,3,4-tetrahydroquinoline hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CCC1=C2CCCNC2=CC=C1

InChI

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

InChIKey

IPRDYWYJPWRKFD-UHFFFAOYSA-N

Compound name

5-ethyl-1,2,3,4-tetrahydroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 161.12045 Da
Monoisotopic Mass: 3.1
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]+	162.12773	135.5
[M+Na]+	184.10967	149.0
[M+NH4]+	179.15427	145.6
[M+K]+	200.08361	140.9
[M-H]-	160.11317	138.5
[M+Na-2H]-	182.09512	142.3
[M]+	161.11990	138.3
[M]-	161.12100	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe