CID 89826139

1789767-01-6

Structural Information

Molecular Formula

C₆H₁₀F₂N₂O

SMILES

CNC(=O)[C@@H]1CC(CN1)(F)F

InChI

InChI=1S/C6H10F2N2O/c1-9-5(11)4-2-6(7,8)3-10-4/h4,10H,2-3H2,1H3,(H,9,11)/t4-/m0/s1

InChIKey

MRYNKRWILVCCHD-BYPYZUCNSA-N

Compound name

(2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 164.07613 Da
Monoisotopic Mass: 0.0
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]+	165.08341	130.8
[M+Na]+	187.06535	137.9
[M-H]-	163.06885	129.1
[M+NH4]+	182.10995	152.7
[M+K]+	203.03929	136.2
[M+H-H2O]+	147.07339	124.1
[M+HCOO]-	209.07433	149.7
[M+CH3COO]-	223.08998	175.4
[M+Na-2H]-	185.05080	134.3
[M]+	164.07558	123.6
[M]-	164.07668	123.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe