CID 145709281

Tert-butyl (2s,4s)-2-(bromomethyl)-4-fluoropyrrolidine-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₇BrFNO₂

SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H]1CBr)F

InChI

InChI=1S/C10H17BrFNO2/c1-10(2,3)15-9(14)13-6-7(12)4-8(13)5-11/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1

InChIKey

JYLQTSMQJJFJIY-YUMQZZPRSA-N

Compound name

tert-butyl (2S,4S)-2-(bromomethyl)-4-fluoropyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.04266 Da
Monoisotopic Mass: 2.5
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]+	282.049936	160.4
[M+Na]+	304.031878	171.2
[M-H]-	280.035384	164.0
[M+NH4]+	299.076483	181.1
[M+K]+	320.005818	161.1
[M+H-H2O]+	264.039920	159.9
[M+HCOO]-	326.040861	176.0
[M+CH3COO]-	340.056511	194.8
[M+Na-2H]-	302.017326	162.4
[M]+	281.04211142	177.9
[M]-	281.04320858	177.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.