CID 83679561

2172577-23-8

Structural Information

Molecular Formula
C8H10BrNO
SMILES
C1CC2=C(CNC1)C=C(O2)Br
InChI
InChI=1S/C8H10BrNO/c9-8-4-6-5-10-3-1-2-7(6)11-8/h4,10H,1-3,5H2
InChIKey
OZFQEKNJQJEZKK-UHFFFAOYSA-N
Compound name
2-bromo-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

214.99458 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00186 137.4
[M+Na]+ 237.98380 146.6
[M-H]- 213.98730 143.4
[M+NH4]+ 233.02840 157.8
[M+K]+ 253.95774 140.2
[M+H-H2O]+ 197.99184 138.0
[M+HCOO]- 259.99278 153.9
[M+CH3COO]- 274.00843 151.4
[M+Na-2H]- 235.96925 144.6
[M]+ 214.99403 149.6
[M]- 214.99513 149.6
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

No patent data available for this compound.