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

128
Patents

251.03096 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.03824 156.7
[M+Na]+ 274.02018 168.5
[M-H]- 250.02368 164.4
[M+NH4]+ 269.06478 182.7
[M+K]+ 289.99412 156.4
[M+H-H2O]+ 234.02822 157.6
[M+HCOO]- 296.02916 176.6
[M+CH3COO]- 310.04481 171.4
[M+Na-2H]- 272.00563 160.0
[M]+ 251.03041 171.9
[M]- 251.03151 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