CID 84804035

1781331-73-4

Structural Information

Molecular Formula

C₁₀H₁₅F₂NO₄

SMILES

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

InChI

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

InChIKey

YCLWQLMUPRBYIC-UHFFFAOYSA-N

Compound name

3,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 251.09691 Da
Monoisotopic Mass: 1.1
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]+	252.104186	150.9
[M+Na]+	274.086128	158.6
[M-H]-	250.089634	149.5
[M+NH4]+	269.130733	170.1
[M+K]+	290.060068	158.0
[M+H-H2O]+	234.094170	145.4
[M+HCOO]-	296.095111	165.8
[M+CH3COO]-	310.110761	189.0
[M+Na-2H]-	272.071576	151.9
[M]+	251.09636142	148.9
[M]-	251.09745858	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.