CID 61690178

2742652-99-7

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CNC(=O)C1C2=CC=CC=C2CCN1

InChI

InChI=1S/C11H14N2O/c1-12-11(14)10-9-5-3-2-4-8(9)6-7-13-10/h2-5,10,13H,6-7H2,1H3,(H,12,14)

InChIKey

VHQRCFZBKMTPON-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 190.11061 Da
Monoisotopic Mass: 0.9
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]+	191.117886	141.1
[M+Na]+	213.099828	146.7
[M-H]-	189.103334	142.3
[M+NH4]+	208.144433	159.3
[M+K]+	229.073768	143.3
[M+H-H2O]+	173.107870	134.3
[M+HCOO]-	235.108811	159.6
[M+CH3COO]-	249.124461	182.9
[M+Na-2H]-	211.085276	147.6
[M]+	190.11006142	135.9
[M]-	190.11115858	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe