CID 10302

Salsolidine

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

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

InChI

InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-8,13H,4-5H2,1-3H3

InChIKey

HMYJLVDKPJHJCF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 27
References: 143
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