CID 15362

2-methyl-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CN1CCC2=CC=CC=C2C1

InChI

InChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3

InChIKey

KYXSVGVQGFPNRQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 2668
Patents: 147.1048 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]+	148.11208	130.5
[M+Na]+	170.09402	144.8
[M+NH4]+	165.13862	141.1
[M+K]+	186.06796	136.6
[M-H]-	146.09752	134.1
[M+Na-2H]-	168.07947	138.3
[M]+	147.10425	133.7
[M]-	147.10535	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe