CID 64386935

6-propoxy-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CCCOC1=CC2=C(CNCC2)C=C1

InChI

InChI=1S/C12H17NO/c1-2-7-14-12-4-3-11-9-13-6-5-10(11)8-12/h3-4,8,13H,2,5-7,9H2,1H3

InChIKey

KLIFEOWIBMQNNT-UHFFFAOYSA-N

Compound name

6-propoxy-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 191.13101 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]+	192.13829	143.3
[M+Na]+	214.12023	156.1
[M+NH4]+	209.16483	152.6
[M+K]+	230.09417	148.3
[M-H]-	190.12373	145.7
[M+Na-2H]-	212.10568	149.4
[M]+	191.13046	145.8
[M]-	191.13156	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe