CID 13694637

(chloromethoxy)cyclobutane

Structural Information

Molecular Formula

SMILES

C1CC(C1)OCCl

InChI

InChI=1S/C5H9ClO/c6-4-7-5-2-1-3-5/h5H,1-4H2

InChIKey

UWIJSUXTOPVRSB-UHFFFAOYSA-N

Compound name

chloromethoxycyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 120.034195 Da
Monoisotopic Mass: 1.7
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]+	121.041471	114.2
[M+Na]+	143.023413	121.4
[M-H]-	119.026919	117.7
[M+NH4]+	138.068018	131.2
[M+K]+	158.997353	122.6
[M+H-H2O]+	103.031455	106.0
[M+HCOO]-	165.032396	132.8
[M+CH3COO]-	179.048046	171.9
[M+Na-2H]-	141.008861	121.9
[M]+	120.03364642	124.2
[M]-	120.03474358	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe