CID 105427414

2260933-28-4

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC1CC(N1)C(=O)OC

InChI

InChI=1S/C6H11NO2/c1-4-3-5(7-4)6(8)9-2/h4-5,7H,3H2,1-2H3

InChIKey

JZZZAICSBVLATB-UHFFFAOYSA-N

Compound name

methyl 4-methylazetidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 129.07898 Da
Monoisotopic Mass: 0.3
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]+	130.086256	126.0
[M+Na]+	152.068198	132.0
[M-H]-	128.071704	126.9
[M+NH4]+	147.112803	139.7
[M+K]+	168.042138	134.6
[M+H-H2O]+	112.076240	115.6
[M+HCOO]-	174.077181	145.0
[M+CH3COO]-	188.092831	173.2
[M+Na-2H]-	150.053646	130.3
[M]+	129.07843142	133.4
[M]-	129.07952858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe