CID 138987645

2305252-83-7

Structural Information

Molecular Formula

C₁₀H₁₈ClNO₃

SMILES

CC(C)(C)OC(=O)N1CC(C1)(CCl)OC

InChI

InChI=1S/C10H18ClNO3/c1-9(2,3)15-8(13)12-6-10(5-11,7-12)14-4/h5-7H2,1-4H3

InChIKey

LJLSYZVOGZSSAM-UHFFFAOYSA-N

Compound name

tert-butyl 3-(chloromethyl)-3-methoxyazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 235.09752 Da
Monoisotopic Mass: 1.2
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]+	236.104796	148.4
[M+Na]+	258.086738	155.4
[M-H]-	234.090244	150.7
[M+NH4]+	253.131343	161.8
[M+K]+	274.060678	156.8
[M+H-H2O]+	218.094780	140.0
[M+HCOO]-	280.095721	162.1
[M+CH3COO]-	294.111371	191.7
[M+Na-2H]-	256.072186	153.1
[M]+	235.09697142	162.0
[M]-	235.09806858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe