CID 80196572

1472008-20-0

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.033486	152.1
[M+Na]+	275.015428	162.9
[M-H]-	251.018934	155.8
[M+NH4]+	270.060033	173.5
[M+K]+	290.989368	150.7
[M+H-H2O]+	235.023470	151.8
[M+HCOO]-	297.024411	166.2
[M+CH3COO]-	311.040061	165.2
[M+Na-2H]-	273.000876	158.3
[M]+	252.02566142	165.7
[M]-	252.02675858	165.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.