CID 65261638

1480824-29-0

Structural Information

Molecular Formula

C₂₂H₂₅NO₄

SMILES

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

InChI

InChI=1S/C22H25NO4/c1-21(2,19(24)25)22(3,4)23-20(26)27-13-18-16-11-7-5-9-14(16)15-10-6-8-12-17(15)18/h5-12,18H,13H2,1-4H3,(H,23,26)(H,24,25)

InChIKey

KFMJYHYZOLYCNF-UHFFFAOYSA-N

Compound name

3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2,3-trimethylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 367.17834 Da
Monoisotopic Mass: 4.1
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]+	368.185616	189.6
[M+Na]+	390.167558	194.6
[M-H]-	366.171064	193.3
[M+NH4]+	385.212163	204.7
[M+K]+	406.141498	191.4
[M+H-H2O]+	350.175600	183.9
[M+HCOO]-	412.176541	205.4
[M+CH3COO]-	426.192191	218.0
[M+Na-2H]-	388.153006	193.5
[M]+	367.17779142	192.5
[M]-	367.17888858	192.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe