CID 118753264

Ku8zb5f5vg

Structural Information

Molecular Formula

C₁₅H₂₁NO₂

SMILES

CCC1=C(C=C2CC(CC2=C1)NCC(=O)O)CC

InChI

InChI=1S/C15H21NO2/c1-3-10-5-12-7-14(16-9-15(17)18)8-13(12)6-11(10)4-2/h5-6,14,16H,3-4,7-9H2,1-2H3,(H,17,18)

InChIKey

KGQOVDZGKWREBH-UHFFFAOYSA-N

Compound name

2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 247.15723 Da
Monoisotopic Mass: 0.8
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]+	248.164506	158.7
[M+Na]+	270.146448	165.1
[M-H]-	246.149954	161.7
[M+NH4]+	265.191053	178.3
[M+K]+	286.120388	161.3
[M+H-H2O]+	230.154490	152.9
[M+HCOO]-	292.155431	179.5
[M+CH3COO]-	306.171081	197.0
[M+Na-2H]-	268.131896	160.1
[M]+	247.15668142	158.9
[M]-	247.15777858	158.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.