CID 11129200

203866-17-5

Structural Information

Molecular Formula

C₁₁H₁₇F₂NO₄

SMILES

CC(C)(C)OC(=O)N1CC(C[C@H]1C(=O)OC)(F)F

InChI

InChI=1S/C11H17F2NO4/c1-10(2,3)18-9(16)14-6-11(12,13)5-7(14)8(15)17-4/h7H,5-6H2,1-4H3/t7-/m0/s1

InChIKey

RQDZKOOUQIDZOG-ZETCQYMHSA-N

Compound name

1-O-tert-butyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 594
Patents: 265.11258 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]+	266.11986	161.7
[M+Na]+	288.10180	167.1
[M+NH4]+	283.14640	166.5
[M+K]+	304.07574	164.9
[M-H]-	264.10530	156.1
[M+Na-2H]-	286.08725	162.3
[M]+	265.11203	160.4
[M]-	265.11313	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe