CID 62737668

2792217-37-7

Structural Information

Molecular Formula
C11H14BrN
SMILES
C1CCC2=C(C=C(C=C2)Br)C(C1)N
InChI
InChI=1S/C11H14BrN/c12-9-6-5-8-3-1-2-4-11(13)10(8)7-9/h5-7,11H,1-4,13H2
InChIKey
VODUXBQLRCIMCW-UHFFFAOYSA-N
Compound name
3-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.03096 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.038236 143.9
[M+Na]+ 262.020178 152.1
[M-H]- 238.023684 151.1
[M+NH4]+ 257.064783 164.4
[M+K]+ 277.994118 144.9
[M+H-H2O]+ 222.028220 144.7
[M+HCOO]- 284.029161 162.1
[M+CH3COO]- 298.044811 157.4
[M+Na-2H]- 260.005626 150.4
[M]+ 239.03041142 154.5
[M]- 239.03150858 154.5
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.