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

9
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 138.9
[M+Na]+ 232.05802 145.2
[M-H]- 208.06152 142.8
[M+NH4]+ 227.10262 156.1
[M+K]+ 248.03196 148.0
[M+H-H2O]+ 192.06606 133.6
[M+HCOO]- 254.06700 156.9
[M+CH3COO]- 268.08265 183.4
[M+Na-2H]- 230.04347 143.1
[M]+ 209.06825 136.4
[M]- 209.06935 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