CID 84075105

2253631-59-1

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

COC(=O)C1(COC1)CN

InChI

InChI=1S/C6H11NO3/c1-9-5(8)6(2-7)3-10-4-6/h2-4,7H2,1H3

InChIKey

ZXLNYJBDYHECQO-UHFFFAOYSA-N

Compound name

methyl 3-(aminomethyl)oxetane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 145.0739 Da
Monoisotopic Mass: -1.4
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]+	146.08118	128.6
[M+Na]+	168.06312	133.7
[M-H]-	144.06662	132.4
[M+NH4]+	163.10772	143.4
[M+K]+	184.03706	138.5
[M+H-H2O]+	128.07116	119.1
[M+HCOO]-	190.07210	149.9
[M+CH3COO]-	204.08775	177.6
[M+Na-2H]-	166.04857	135.3
[M]+	145.07335	137.5
[M]-	145.07445	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe