CID 594161

3,4-dihydro-1,3,3-trimethylisoquinoline hydriodide

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

CC1=NC(CC2=CC=CC=C12)(C)C

InChI

InChI=1S/C12H15N/c1-9-11-7-5-4-6-10(11)8-12(2,3)13-9/h4-7H,8H2,1-3H3

InChIKey

HFNOAVXTUXLYNM-UHFFFAOYSA-N

Compound name

1,3,3-trimethyl-4H-isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 63
Patents: 173.12045 Da
Monoisotopic Mass: 2.2
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]+	174.12773	137.9
[M+Na]+	196.10967	153.2
[M+NH4]+	191.15427	149.7
[M+K]+	212.08361	142.9
[M-H]-	172.11317	141.6
[M+Na-2H]-	194.09512	147.3
[M]+	173.11990	141.5
[M]-	173.12100	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe