CID 106822757

1696791-50-0

Structural Information

Molecular Formula

C₂₁H₂₁NO₅

SMILES

COC1CC(C1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C21H21NO5/c1-26-13-10-21(11-13,19(23)24)22-20(25)27-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18H,10-12H2,1H3,(H,22,25)(H,23,24)

InChIKey

NKMHJLJKJKLOAJ-UHFFFAOYSA-N

Compound name

1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxycyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 367.14197 Da
Monoisotopic Mass: 2.9
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]+	368.149246	186.2
[M+Na]+	390.131188	190.2
[M-H]-	366.134694	192.7
[M+NH4]+	385.175793	196.2
[M+K]+	406.105128	190.1
[M+H-H2O]+	350.139230	173.9
[M+HCOO]-	412.140171	203.5
[M+CH3COO]-	426.155821	217.9
[M+Na-2H]-	388.116636	187.8
[M]+	367.14142142	197.1
[M]-	367.14251858	197.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe