CID 46737427

184763-08-4

Structural Information

Molecular Formula

C₁₉H₁₉NO₅

SMILES

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

InChI

InChI=1S/C19H19NO5/c21-12(9-18(22)23)10-20-19(24)25-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17,21H,9-11H2,(H,20,24)(H,22,23)

InChIKey

KAVHFNYDXGWPBX-UHFFFAOYSA-N

Compound name

4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 341.1263 Da
Monoisotopic Mass: 1.9
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	178.0
[M+Na]+	364.115518	182.7
[M-H]-	340.119024	180.3
[M+NH4]+	359.160123	193.1
[M+K]+	380.089458	179.2
[M+H-H2O]+	324.123560	171.4
[M+HCOO]-	386.124501	195.8
[M+CH3COO]-	400.140151	209.2
[M+Na-2H]-	362.100966	179.7
[M]+	341.12575142	179.8
[M]-	341.12684858	179.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.