CID 122480624

8-bromo-1,2,3,5,6,7-hexahydro-s-indacen-4-amine

Structural Information

Molecular Formula
C12H14BrN
SMILES
C1CC2=C(C1)C(=C3CCCC3=C2N)Br
InChI
InChI=1S/C12H14BrN/c13-11-7-3-1-5-9(7)12(14)10-6-2-4-8(10)11/h1-6,14H2
InChIKey
AXRMGIYGEAGXID-UHFFFAOYSA-N
Compound name
8-bromo-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

251.03096 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.038236 156.7
[M+Na]+ 274.020178 168.5
[M-H]- 250.023684 164.4
[M+NH4]+ 269.064783 182.7
[M+K]+ 289.994118 156.4
[M+H-H2O]+ 234.028220 157.6
[M+HCOO]- 296.029161 176.6
[M+CH3COO]- 310.044811 171.4
[M+Na-2H]- 272.005626 160.0
[M]+ 251.03041142 171.9
[M]- 251.03150858 171.9
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