CID 231502

1-methyl-3,4-dihydroisoquinoline

Structural Information

Molecular Formula

C₁₀H₁₁N

SMILES

CC1=NCCC2=CC=CC=C12

InChI

InChI=1S/C10H11N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-5H,6-7H2,1H3

InChIKey

JZZLDIIDMFCOGF-UHFFFAOYSA-N

Compound name

1-methyl-3,4-dihydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 15
References: 364
Patents: 145.08914 Da
Monoisotopic Mass: 1.6
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]+	146.096416	128.0
[M+Na]+	168.078358	136.5
[M-H]-	144.081864	131.2
[M+NH4]+	163.122963	149.4
[M+K]+	184.052298	133.6
[M+H-H2O]+	128.086400	121.6
[M+HCOO]-	190.087341	149.5
[M+CH3COO]-	204.102991	141.9
[M+Na-2H]-	166.063806	137.4
[M]+	145.08859142	126.5
[M]-	145.08968858	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe