CID 57674934

936548-77-5

Structural Information

Molecular Formula

SMILES

C1CC1C2(CNC2)F

InChI

InChI=1S/C6H10FN/c7-6(3-8-4-6)5-1-2-5/h5,8H,1-4H2

InChIKey

AOUFJTIBSZYCPM-UHFFFAOYSA-N

Compound name

3-cyclopropyl-3-fluoroazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 115.07973 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]+	116.087006	121.8
[M+Na]+	138.068948	129.9
[M-H]-	114.072454	125.7
[M+NH4]+	133.113553	133.4
[M+K]+	154.042888	130.8
[M+H-H2O]+	98.076990	111.3
[M+HCOO]-	160.077931	140.6
[M+CH3COO]-	174.093581	173.6
[M+Na-2H]-	136.054396	129.1
[M]+	115.07918142	127.7
[M]-	115.08027858	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe