CID 19699091

180340-63-0

Structural Information

Molecular Formula

C₁₀H₁₁NO₄

SMILES

COC(=O)C1=COC2=C1NC(=O)CCC2

InChI

InChI=1S/C10H11NO4/c1-14-10(13)6-5-15-7-3-2-4-8(12)11-9(6)7/h5H,2-4H2,1H3,(H,11,12)

InChIKey

MPVXNDOJMBNNMX-UHFFFAOYSA-N

Compound name

methyl 5-oxo-4,6,7,8-tetrahydrofuro[3,2-b]azepine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 209.0688 Da
Monoisotopic Mass: 0.4
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]+	210.07608	142.8
[M+Na]+	232.05802	150.8
[M+NH4]+	227.10262	148.7
[M+K]+	248.03196	150.4
[M-H]-	208.06152	143.0
[M+Na-2H]-	230.04347	144.7
[M]+	209.06825	143.7
[M]-	209.06935	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe