CID 19048665

215189-51-8

Structural Information

Molecular Formula

C₁₉H₁₉NO₅

SMILES

COCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C19H19NO5/c1-24-11-17(18(21)22)20-19(23)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,20,23)(H,21,22)

InChIKey

YFWAFELGMGZCHL-UHFFFAOYSA-N

Compound name

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 142
Patents: 341.1263 Da
Monoisotopic Mass: 2.5
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]+	342.133576	178.3
[M+Na]+	364.115518	183.4
[M-H]-	340.119024	182.0
[M+NH4]+	359.160123	194.1
[M+K]+	380.089458	180.7
[M+H-H2O]+	324.123560	171.4
[M+HCOO]-	386.124501	197.6
[M+CH3COO]-	400.140151	211.4
[M+Na-2H]-	362.100966	180.4
[M]+	341.12575142	181.9
[M]-	341.12684858	181.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe