CID 132992796

3-methoxyazetidine-1-carbonyl chloride

Structural Information

Molecular Formula

C₅H₈ClNO₂

SMILES

COC1CN(C1)C(=O)Cl

InChI

InChI=1S/C5H8ClNO2/c1-9-4-2-7(3-4)5(6)8/h4H,2-3H2,1H3

InChIKey

KAHMVCPHJREBGK-UHFFFAOYSA-N

Compound name

3-methoxyazetidine-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 149.02435 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]+	150.03163	123.4
[M+Na]+	172.01357	130.6
[M+NH4]+	167.05817	127.6
[M+K]+	187.98751	127.7
[M-H]-	148.01707	120.7
[M+Na-2H]-	169.99902	125.8
[M]+	149.02380	122.5
[M]-	149.02490	122.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.