CID 53417418

1260795-79-6

Structural Information

Molecular Formula

C₁₀H₁₇F₃N₂O₂

SMILES

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

InChI

InChI=1S/C10H17F3N2O2/c1-8(2,3)17-7(16)15-5-4-9(14,6-15)10(11,12)13/h4-6,14H2,1-3H3

InChIKey

YHPCKIFBYOPVAL-UHFFFAOYSA-N

Compound name

tert-butyl 3-amino-3-(trifluoromethyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 254.1242 Da
Monoisotopic Mass: 1.3
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]+	255.131476	153.8
[M+Na]+	277.113418	160.8
[M-H]-	253.116924	151.7
[M+NH4]+	272.158023	173.0
[M+K]+	293.087358	159.7
[M+H-H2O]+	237.121460	147.0
[M+HCOO]-	299.122401	168.3
[M+CH3COO]-	313.138051	193.0
[M+Na-2H]-	275.098866	156.5
[M]+	254.12365142	147.9
[M]-	254.12474858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe