CID 80196572

8-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline

Structural Information

Molecular Formula
C11H13BrN2
SMILES
C1CC2CNC3=C(N2C1)C=C(C=C3)Br
InChI
InChI=1S/C11H13BrN2/c12-8-3-4-10-11(6-8)14-5-1-2-9(14)7-13-10/h3-4,6,9,13H,1-2,5,7H2
InChIKey
GYVQDQVRYZTQCV-UHFFFAOYSA-N
Compound name
8-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.02621 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03349 153.5
[M+Na]+ 275.01543 156.2
[M+NH4]+ 270.06003 159.3
[M+K]+ 290.98937 156.4
[M-H]- 251.01893 153.8
[M+Na-2H]- 273.00088 154.4
[M]+ 252.02566 152.7
[M]- 252.02676 152.7
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.