CID 41221

54893-54-8

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CN1CCC2=C(C1)C=CC(=C2)OC

InChI

InChI=1S/C11H15NO/c1-12-6-5-9-7-11(13-2)4-3-10(9)8-12/h3-4,7H,5-6,8H2,1-2H3

InChIKey

FXCIEQJPMSJEII-UHFFFAOYSA-N

Compound name

6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 48
Patents: 177.11537 Da
Monoisotopic Mass: 1.8
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]+	178.12265	137.7
[M+Na]+	200.10459	145.5
[M-H]-	176.10809	140.7
[M+NH4]+	195.14919	157.9
[M+K]+	216.07853	143.2
[M+H-H2O]+	160.11263	131.0
[M+HCOO]-	222.11357	157.6
[M+CH3COO]-	236.12922	182.4
[M+Na-2H]-	198.09004	144.7
[M]+	177.11482	136.9
[M]-	177.11592	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe