CID 55299202

1403766-81-3

Structural Information

Molecular Formula

C₇H₁₃FN₂

SMILES

C1CN(C[C@@H]1F)C2CNC2

InChI

InChI=1S/C7H13FN2/c8-6-1-2-10(5-6)7-3-9-4-7/h6-7,9H,1-5H2/t6-/m1/s1

InChIKey

YFIAGLYBZPKKMO-ZCFIWIBFSA-N

Compound name

(3R)-1-(azetidin-3-yl)-3-fluoropyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 144.10628 Da
Monoisotopic Mass: 0.2
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]+	145.11356	127.2
[M+Na]+	167.09550	132.2
[M-H]-	143.09900	127.9
[M+NH4]+	162.14010	140.4
[M+K]+	183.06944	133.0
[M+H-H2O]+	127.10354	114.7
[M+HCOO]-	189.10448	143.5
[M+CH3COO]-	203.12013	174.6
[M+Na-2H]-	165.08095	129.9
[M]+	144.10573	128.6
[M]-	144.10683	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe