CID 199214

3851-31-8

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

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

InChI

InChI=1S/C12H17NO3/c1-7-10-8(4-5-13-7)6-9(15-2)12(16-3)11(10)14/h6-7,13-14H,4-5H2,1-3H3

InChIKey

PRNZAMQMBOFSJY-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 223.12085 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]+	224.12813	149.5
[M+Na]+	246.11007	157.7
[M-H]-	222.11357	150.2
[M+NH4]+	241.15467	166.9
[M+K]+	262.08401	154.6
[M+H-H2O]+	206.11811	143.3
[M+HCOO]-	268.11905	166.3
[M+CH3COO]-	282.13470	187.0
[M+Na-2H]-	244.09552	153.7
[M]+	223.12030	149.2
[M]-	223.12140	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe