CID 12946558

4h,5h,6h,7h,8h-furo[3,2-c]azepine

Structural Information

Molecular Formula
C8H11NO
SMILES
C1CC2=C(CNC1)C=CO2
InChI
InChI=1S/C8H11NO/c1-2-8-7(3-5-10-8)6-9-4-1/h3,5,9H,1-2,4,6H2
InChIKey
INHBEZLAWKRIEI-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 123.3
[M+Na]+ 160.07328 128.5
[M-H]- 136.07678 126.5
[M+NH4]+ 155.11788 142.9
[M+K]+ 176.04722 130.3
[M+H-H2O]+ 120.08132 118.0
[M+HCOO]- 182.08226 141.8
[M+CH3COO]- 196.09791 136.0
[M+Na-2H]- 158.05873 130.6
[M]+ 137.08351 117.2
[M]- 137.08461 117.2
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