CID 2724630

35737-10-1

Structural Information

Molecular Formula

C₁₈H₁₇NO₄

SMILES

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

InChI

InChI=1S/C18H17NO4/c20-17(21)9-10-19-18(22)23-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,22)(H,20,21)

InChIKey

LINBWYYLPWJQHE-UHFFFAOYSA-N

Compound name

3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 2398
Patents: 311.11575 Da
Monoisotopic Mass: 2.6
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]+	312.123026	170.7
[M+Na]+	334.104968	176.9
[M-H]-	310.108474	174.6
[M+NH4]+	329.149573	188.0
[M+K]+	350.078908	173.0
[M+H-H2O]+	294.113010	164.0
[M+HCOO]-	356.113951	191.3
[M+CH3COO]-	370.129601	205.3
[M+Na-2H]-	332.090416	174.3
[M]+	311.11520142	173.2
[M]-	311.11629858	173.2

Literature stripe

literature stripe

Patent stripe

patents stripe