CID 57686683

1009368-28-8

Structural Information

Molecular Formula

C₉H₁₄ClNO₄

SMILES

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

InChI

InChI=1S/C9H14ClNO4/c1-9(2,3)15-8(13)11-4-6(5-11)14-7(10)12/h6H,4-5H2,1-3H3

InChIKey

PMFUNKVMRLFUJD-UHFFFAOYSA-N

Compound name

tert-butyl 3-carbonochloridoyloxyazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 235.06114 Da
Monoisotopic Mass: 1.9
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]+	236.06842	145.5
[M+Na]+	258.05036	151.8
[M-H]-	234.05386	147.6
[M+NH4]+	253.09496	156.7
[M+K]+	274.02430	153.9
[M+H-H2O]+	218.05840	135.7
[M+HCOO]-	280.05934	158.9
[M+CH3COO]-	294.07499	190.5
[M+Na-2H]-	256.03581	148.4
[M]+	235.06059	158.4
[M]-	235.06169	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe