CID 59605385

1403766-97-1

Structural Information

Molecular Formula

C₇H₁₂F₂N₂

SMILES

C1CN(CC1(F)F)C2CNC2

InChI

InChI=1S/C7H12F2N2/c8-7(9)1-2-11(5-7)6-3-10-4-6/h6,10H,1-5H2

InChIKey

XHHYGYVKHQAJTJ-UHFFFAOYSA-N

Compound name

1-(azetidin-3-yl)-3,3-difluoropyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 162.09685 Da
Monoisotopic Mass: 0.5
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]+	163.104126	131.3
[M+Na]+	185.086068	137.3
[M-H]-	161.089574	131.1
[M+NH4]+	180.130673	145.8
[M+K]+	201.060008	137.6
[M+H-H2O]+	145.094110	119.0
[M+HCOO]-	207.095051	146.6
[M+CH3COO]-	221.110701	176.8
[M+Na-2H]-	183.071516	134.3
[M]+	162.09630142	131.9
[M]-	162.09739858	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe