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: 28
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	149.4
[M+Na]+	246.11007	161.7
[M+NH4]+	241.15467	157.1
[M+K]+	262.08401	155.9
[M-H]-	222.11357	150.3
[M+Na-2H]-	244.09552	153.2
[M]+	223.12030	151.3
[M]-	223.12140	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe