CID 589766

1,1-dimethyl-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1(C2=CC=CC=C2CCN1)C

InChI

InChI=1S/C11H15N/c1-11(2)10-6-4-3-5-9(10)7-8-12-11/h3-6,12H,7-8H2,1-2H3

InChIKey

PJFODMSKYKYLCZ-UHFFFAOYSA-N

Compound name

1,1-dimethyl-3,4-dihydro-2H-isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 161.12045 Da
Monoisotopic Mass: 1.9
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]+	162.12773	136.1
[M+Na]+	184.10967	149.7
[M+NH4]+	179.15427	147.6
[M+K]+	200.08361	139.9
[M-H]-	160.11317	139.0
[M+Na-2H]-	182.09512	144.4
[M]+	161.11990	139.1
[M]-	161.12100	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe