CID 89826241

2243515-08-2

Structural Information

Molecular Formula

C₇H₁₁F₂NO₂

SMILES

CC1(CC(CN1)(F)F)C(=O)OC

InChI

InChI=1S/C7H11F2NO2/c1-6(5(11)12-2)3-7(8,9)4-10-6/h10H,3-4H2,1-2H3

InChIKey

GQQDAIWFVWRWAV-UHFFFAOYSA-N

Compound name

methyl 4,4-difluoro-2-methylpyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 179.07579 Da
Monoisotopic Mass: 0.7
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]+	180.08307	132.8
[M+Na]+	202.06501	141.4
[M-H]-	178.06851	131.5
[M+NH4]+	197.10961	156.6
[M+K]+	218.03895	140.2
[M+H-H2O]+	162.07305	127.5
[M+HCOO]-	224.07399	150.7
[M+CH3COO]-	238.08964	175.4
[M+Na-2H]-	200.05046	136.9
[M]+	179.07524	128.7
[M]-	179.07634	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe