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]+ 216.001856 137.4
[M+Na]+ 237.983798 146.6
[M-H]- 213.987304 143.4
[M+NH4]+ 233.028403 157.8
[M+K]+ 253.957738 140.2
[M+H-H2O]+ 197.991840 138.0
[M+HCOO]- 259.992781 153.9
[M+CH3COO]- 274.008431 151.4
[M+Na-2H]- 235.969246 144.6
[M]+ 214.99403142 149.6
[M]- 214.99512858 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.