CID 22644

Nsc 36661

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CC1CC2=CC(=C(C=C2CN1)OC)OC

InChI

InChI=1S/C12H17NO2/c1-8-4-9-5-11(14-2)12(15-3)6-10(9)7-13-8/h5-6,8,13H,4,7H2,1-3H3

InChIKey

SRXUBSWMMKWIBE-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 207.12593 Da
Monoisotopic Mass: 1.7
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]+	208.13321	145.9
[M+Na]+	230.11515	159.0
[M+NH4]+	225.15975	154.6
[M+K]+	246.08909	152.1
[M-H]-	206.11865	147.9
[M+Na-2H]-	228.10060	151.1
[M]+	207.12538	148.3
[M]-	207.12648	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe