CID 72208166

1407991-24-5

Structural Information

Molecular Formula

C₁₀H₁₈F₂N₂O₂

SMILES

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

InChI

InChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-6-10(11,12)4-7(14)5-13/h7H,4-6,13H2,1-3H3/t7-/m1/s1

InChIKey

MHRFRDWLNRHXMY-SSDOTTSWSA-N

Compound name

tert-butyl (2R)-2-(aminomethyl)-4,4-difluoropyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 236.13364 Da
Monoisotopic Mass: 1.0
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]+	237.140916	151.1
[M+Na]+	259.122858	158.4
[M-H]-	235.126364	150.3
[M+NH4]+	254.167463	171.2
[M+K]+	275.096798	157.2
[M+H-H2O]+	219.130900	144.7
[M+HCOO]-	281.131841	168.2
[M+CH3COO]-	295.147491	191.7
[M+Na-2H]-	257.108306	152.5
[M]+	236.13309142	147.4
[M]-	236.13418858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe