CID 105439902

2095672-88-9

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

COC(=O)C1=COC(=N1)C2CNC2

InChI

InChI=1S/C8H10N2O3/c1-12-8(11)6-4-13-7(10-6)5-2-9-3-5/h4-5,9H,2-3H2,1H3

InChIKey

MJTROQCVJFVAPV-UHFFFAOYSA-N

Compound name

methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 182.06914 Da
Monoisotopic Mass: 0.0
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]+	183.07642	136.7
[M+Na]+	205.05836	142.4
[M+NH4]+	200.10296	139.1
[M+K]+	221.03230	142.8
[M-H]-	181.06186	135.0
[M+Na-2H]-	203.04381	138.3
[M]+	182.06859	135.5
[M]-	182.06969	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe