CID 49719

Isoquinoline, 1,2,3,4-tetrahydro-2-ethyl-, hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CCN1CCC2=CC=CC=C2C1

InChI

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

InChIKey

VFCWGXGWQPTGNQ-UHFFFAOYSA-N

Compound name

2-ethyl-3,4-dihydro-1H-isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 414
Patents: 161.12045 Da
Monoisotopic Mass: 2.2
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	134.5
[M+Na]+	184.109668	141.4
[M-H]-	160.113174	137.0
[M+NH4]+	179.154273	155.1
[M+K]+	200.083608	138.5
[M+H-H2O]+	144.117710	127.7
[M+HCOO]-	206.118651	154.1
[M+CH3COO]-	220.134301	179.3
[M+Na-2H]-	182.095116	142.2
[M]+	161.11990142	131.8
[M]-	161.12099858	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe