CID 105509227

1781091-41-5

Structural Information

Molecular Formula

C₁₀H₁₅F₂NO₄

SMILES

CC(C)(C)OC(=O)N1CC(C1)C(C(=O)O)(F)F

InChI

InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-4-6(5-13)10(11,12)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)

InChIKey

YNJIFLFCTIIZIN-UHFFFAOYSA-N

Compound name

2,2-difluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 251.09691 Da
Monoisotopic Mass: 1.4
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]+	252.104186	155.9
[M+Na]+	274.086128	160.7
[M-H]-	250.089634	154.0
[M+NH4]+	269.130733	164.6
[M+K]+	290.060068	163.4
[M+H-H2O]+	234.094170	143.9
[M+HCOO]-	296.095111	167.9
[M+CH3COO]-	310.110761	193.6
[M+Na-2H]-	272.071576	157.3
[M]+	251.09636142	162.5
[M]-	251.09745858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.