CID 72207629

1363383-31-6

Structural Information

Molecular Formula

SMILES

COC(=O)C1(COC1)N

InChI

InChI=1S/C5H9NO3/c1-8-4(7)5(6)2-9-3-5/h2-3,6H2,1H3

InChIKey

UPNLQRIRTAHAGA-UHFFFAOYSA-N

Compound name

methyl 3-aminooxetane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 131.05824 Da
Monoisotopic Mass: -1.3
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]+	132.06552	123.9
[M+Na]+	154.04746	129.4
[M-H]-	130.05096	127.9
[M+NH4]+	149.09206	139.2
[M+K]+	170.02140	134.4
[M+H-H2O]+	114.05550	114.5
[M+HCOO]-	176.05644	145.5
[M+CH3COO]-	190.07209	174.7
[M+Na-2H]-	152.03291	131.2
[M]+	131.05769	132.4
[M]-	131.05879	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe