CID 155821413

2276125-68-7

Structural Information

Molecular Formula

C₈H₁₄FNO₂

SMILES

COC(=O)C1(CCCN1)CCF

InChI

InChI=1S/C8H14FNO2/c1-12-7(11)8(4-5-9)3-2-6-10-8/h10H,2-6H2,1H3

InChIKey

RRVSYCMQPHDPJV-UHFFFAOYSA-N

Compound name

methyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 175.10086 Da
Monoisotopic Mass: 0.8
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]+	176.10814	138.0
[M+Na]+	198.09008	144.1
[M-H]-	174.09358	137.0
[M+NH4]+	193.13468	159.6
[M+K]+	214.06402	142.9
[M+H-H2O]+	158.09812	131.8
[M+HCOO]-	220.09906	156.4
[M+CH3COO]-	234.11471	174.7
[M+Na-2H]-	196.07553	141.2
[M]+	175.10031	134.5
[M]-	175.10141	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe