CID 105427842

2253638-76-3

Structural Information

Molecular Formula

C₆H₁₁F₂N

SMILES

CC1(CNCC1(F)F)C

InChI

InChI=1S/C6H11F2N/c1-5(2)3-9-4-6(5,7)8/h9H,3-4H2,1-2H3

InChIKey

CVALBVCBFVGOKC-UHFFFAOYSA-N

Compound name

3,3-difluoro-4,4-dimethylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 135.08595 Da
Monoisotopic Mass: 1.4
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]+	136.09323	122.9
[M+Na]+	158.07517	131.9
[M-H]-	134.07867	121.6
[M+NH4]+	153.11977	148.6
[M+K]+	174.04911	130.1
[M+H-H2O]+	118.08321	117.5
[M+HCOO]-	180.08415	141.4
[M+CH3COO]-	194.09980	169.1
[M+Na-2H]-	156.06062	128.5
[M]+	135.08540	116.8
[M]-	135.08650	116.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe