CID 46695

Salsoline

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CC1C2=CC(=C(C=C2CCN1)O)OC

InChI

InChI=1S/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3

InChIKey

YTPRLBGPGZHUPD-UHFFFAOYSA-N

Compound name

7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 81
References: 108
Patents: 193.11028 Da
Monoisotopic Mass: 1.3
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]+	194.11756	142.0
[M+Na]+	216.09950	149.9
[M-H]-	192.10300	142.6
[M+NH4]+	211.14410	160.4
[M+K]+	232.07344	146.3
[M+H-H2O]+	176.10754	136.0
[M+HCOO]-	238.10848	159.0
[M+CH3COO]-	252.12413	180.5
[M+Na-2H]-	214.08495	147.4
[M]+	193.10973	139.4
[M]-	193.11083	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe