CID 5185129

124927-89-5

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)CN

InChI

InChI=1S/C16H15NO2/c17-9-16(18)19-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10,17H2

InChIKey

XHYUDJFILRMEQQ-UHFFFAOYSA-N

Compound name

9H-fluoren-9-ylmethyl 2-aminoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 253.11028 Da
Monoisotopic Mass: 2.3
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]+	254.11756	156.8
[M+Na]+	276.09950	164.8
[M-H]-	252.10300	161.9
[M+NH4]+	271.14410	177.3
[M+K]+	292.07344	160.4
[M+H-H2O]+	236.10754	150.4
[M+HCOO]-	298.10848	179.5
[M+CH3COO]-	312.12413	197.4
[M+Na-2H]-	274.08495	161.8
[M]+	253.10973	158.0
[M]-	253.11083	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe