CID 52961

74192-74-8

Structural Information

Molecular Formula

C₁₆H₁₇NO

SMILES

COC1=CC=CC=C1C2=CC=CC3=C2CNCC3

InChI

InChI=1S/C16H17NO/c1-18-16-8-3-2-6-14(16)13-7-4-5-12-9-10-17-11-15(12)13/h2-8,17H,9-11H2,1H3

InChIKey

RVFFYFPIZYIKEY-UHFFFAOYSA-N

Compound name

8-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 239.13101 Da
Monoisotopic Mass: 2.9
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]+	240.13829	154.5
[M+Na]+	262.12023	161.0
[M-H]-	238.12373	158.8
[M+NH4]+	257.16483	170.8
[M+K]+	278.09417	155.7
[M+H-H2O]+	222.12827	146.1
[M+HCOO]-	284.12921	172.5
[M+CH3COO]-	298.14486	165.6
[M+Na-2H]-	260.10568	160.8
[M]+	239.13046	150.9
[M]-	239.13156	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe