CID 130531515

1-[3-(bromomethyl)azetidin-1-yl]ethan-1-one

Structural Information

Molecular Formula

C₆H₁₀BrNO

SMILES

CC(=O)N1CC(C1)CBr

InChI

InChI=1S/C6H10BrNO/c1-5(9)8-3-6(2-7)4-8/h6H,2-4H2,1H3

InChIKey

FXRQWJMRGNKJID-UHFFFAOYSA-N

Compound name

1-[3-(bromomethyl)azetidin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.99458 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]+	192.001856	125.3
[M+Na]+	213.983798	135.4
[M-H]-	189.987304	130.3
[M+NH4]+	209.028403	141.4
[M+K]+	229.957738	128.9
[M+H-H2O]+	173.991840	121.0
[M+HCOO]-	235.992781	143.7
[M+CH3COO]-	250.008431	184.2
[M+Na-2H]-	211.969246	132.1
[M]+	190.99403142	150.8
[M]-	190.99512858	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.