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]+	208.13321	146.2
[M+Na]+	230.11515	158.8
[M+NH4]+	225.15975	154.9
[M+K]+	246.08909	151.8
[M-H]-	206.11865	148.1
[M+Na-2H]-	228.10060	151.6
[M]+	207.12538	148.5
[M]-	207.12648	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe