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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe