CID 20332392

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

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CCC1=CC2=C(CCCN2)C=C1

InChI

InChI=1S/C11H15N/c1-2-9-5-6-10-4-3-7-12-11(10)8-9/h5-6,8,12H,2-4,7H2,1H3

InChIKey

BCSQUVLIGHGKAQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
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	135.0
[M+Na]+	184.10967	141.5
[M-H]-	160.11317	136.2
[M+NH4]+	179.15427	154.9
[M+K]+	200.08361	137.7
[M+H-H2O]+	144.11771	128.6
[M+HCOO]-	206.11865	153.2
[M+CH3COO]-	220.13430	147.2
[M+Na-2H]-	182.09512	142.3
[M]+	161.11990	130.5
[M]-	161.12100	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe