CID 19699091

Methyl 5-oxo-4h,5h,6h,7h,8h-furo[3,2-b]azepine-3-carboxylate

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]+ 210.076076 138.9
[M+Na]+ 232.058018 145.2
[M-H]- 208.061524 142.8
[M+NH4]+ 227.102623 156.1
[M+K]+ 248.031958 148.0
[M+H-H2O]+ 192.066060 133.6
[M+HCOO]- 254.067001 156.9
[M+CH3COO]- 268.082651 183.4
[M+Na-2H]- 230.043466 143.1
[M]+ 209.06825142 136.4
[M]- 209.06934858 136.4
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