CID 13246222

69684-69-1

Structural Information

Molecular Formula

SMILES

COC(=O)C1CCN1

InChI

InChI=1S/C5H9NO2/c1-8-5(7)4-2-3-6-4/h4,6H,2-3H2,1H3

InChIKey

CHNOQXRIMCFHKZ-UHFFFAOYSA-N

Compound name

methyl azetidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 335
Patents: 115.06333 Da
Monoisotopic Mass: -0.1
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]+	116.070606	121.3
[M+Na]+	138.052548	126.9
[M-H]-	114.056054	122.1
[M+NH4]+	133.097153	135.3
[M+K]+	154.026488	129.7
[M+H-H2O]+	98.060590	110.8
[M+HCOO]-	160.061531	140.7
[M+CH3COO]-	174.077181	169.1
[M+Na-2H]-	136.037996	126.9
[M]+	115.06278142	128.1
[M]-	115.06387858	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe