CID 22662

6272-91-9

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CCOC1=C(C=C2CNCCC2=C1)OC

InChI

InChI=1S/C12H17NO2/c1-3-15-12-6-9-4-5-13-8-10(9)7-11(12)14-2/h6-7,13H,3-5,8H2,1-2H3

InChIKey

PZNFFJHHTABBMQ-UHFFFAOYSA-N

Compound name

6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 207.12593 Da
Monoisotopic Mass: 1.6
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]+	208.133206	146.1
[M+Na]+	230.115148	152.9
[M-H]-	206.118654	147.4
[M+NH4]+	225.159753	164.3
[M+K]+	246.089088	150.0
[M+H-H2O]+	190.123190	139.2
[M+HCOO]-	252.124131	164.3
[M+CH3COO]-	266.139781	184.8
[M+Na-2H]-	228.100596	152.1
[M]+	207.12538142	145.2
[M]-	207.12647858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe