CID 417289

1011-43-4

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

COC1=C(C=C2CCNCC2=C1)O

InChI

InChI=1S/C10H13NO2/c1-13-10-5-8-6-11-3-2-7(8)4-9(10)12/h4-5,11-12H,2-3,6H2,1H3

InChIKey

MHTLPFVHBVOGMZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 179.09464 Da
Monoisotopic Mass: 0.9
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]+	180.10192	137.4
[M+Na]+	202.08386	144.7
[M-H]-	178.08736	137.7
[M+NH4]+	197.12846	156.0
[M+K]+	218.05780	141.3
[M+H-H2O]+	162.09190	131.3
[M+HCOO]-	224.09284	154.7
[M+CH3COO]-	238.10849	176.3
[M+Na-2H]-	200.06931	144.0
[M]+	179.09409	134.0
[M]-	179.09519	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe