CID 18542424

195447-25-7

Structural Information

Molecular Formula

C₉H₁₅F₂NO₂

SMILES

CC(C)(C)OC(=O)N1CCC(C1)(F)F

InChI

InChI=1S/C9H15F2NO2/c1-8(2,3)14-7(13)12-5-4-9(10,11)6-12/h4-6H2,1-3H3

InChIKey

ULFWNKDACVUZOD-UHFFFAOYSA-N

Compound name

tert-butyl 3,3-difluoropyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 207.10709 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]+	208.11437	143.0
[M+Na]+	230.09631	150.9
[M-H]-	206.09981	142.8
[M+NH4]+	225.14091	164.7
[M+K]+	246.07025	150.3
[M+H-H2O]+	190.10435	136.9
[M+HCOO]-	252.10529	160.2
[M+CH3COO]-	266.12094	183.2
[M+Na-2H]-	228.08176	146.2
[M]+	207.10654	140.5
[M]-	207.10764	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe