CID 135455147

187884-86-2

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

CC1(CC2=CC=CC=C2C(=NCC(=O)O)N1)C

InChI

InChI=1S/C13H16N2O2/c1-13(2)7-9-5-3-4-6-10(9)12(15-13)14-8-11(16)17/h3-6H,7-8H2,1-2H3,(H,14,15)(H,16,17)

InChIKey

RHVLVOXVZFRCAX-UHFFFAOYSA-N

Compound name

2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 232.12119 Da
Monoisotopic Mass: 1.7
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]+	233.128466	152.1
[M+Na]+	255.110408	159.0
[M-H]-	231.113914	153.7
[M+NH4]+	250.155013	170.8
[M+K]+	271.084348	155.4
[M+H-H2O]+	215.118450	145.7
[M+HCOO]-	277.119391	170.3
[M+CH3COO]-	291.135041	191.0
[M+Na-2H]-	253.095856	158.0
[M]+	232.12064142	149.1
[M]-	232.12173858	149.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.