CID 138987941

2305253-72-7

Structural Information

Molecular Formula

C₁₂H₁₉F₂NO₄

SMILES

CC(C)(C)OC(=O)NC(CC(=O)O)C1CC(C1)(F)F

InChI

InChI=1S/C12H19F2NO4/c1-11(2,3)19-10(18)15-8(4-9(16)17)7-5-12(13,14)6-7/h7-8H,4-6H2,1-3H3,(H,15,18)(H,16,17)

InChIKey

DJVKKSZGTJWAHS-UHFFFAOYSA-N

Compound name

3-(3,3-difluorocyclobutyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.1282 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]+	280.135476	168.3
[M+Na]+	302.117418	171.4
[M-H]-	278.120924	167.4
[M+NH4]+	297.162023	178.5
[M+K]+	318.091358	174.1
[M+H-H2O]+	262.125460	157.0
[M+HCOO]-	324.126401	182.2
[M+CH3COO]-	338.142051	201.8
[M+Na-2H]-	300.102866	167.6
[M]+	279.12765142	174.5
[M]-	279.12874858	174.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.