CID 15287823

172965-84-3

Structural Information

Molecular Formula

C₁₉H₁₉NO₄

SMILES

CN(CCC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C19H19NO4/c1-20(11-10-18(21)22)19(23)24-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,21,22)

InChIKey

QZUDWCRKKTVLLX-UHFFFAOYSA-N

Compound name

3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 325.1314 Da
Monoisotopic Mass: 2.7
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]+	326.138676	176.1
[M+Na]+	348.120618	181.9
[M-H]-	324.124124	181.2
[M+NH4]+	343.165223	193.4
[M+K]+	364.094558	179.2
[M+H-H2O]+	308.128660	169.1
[M+HCOO]-	370.129601	196.8
[M+CH3COO]-	384.145251	211.5
[M+Na-2H]-	346.106066	178.3
[M]+	325.13085142	180.1
[M]-	325.13194858	180.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe