CID 28419125

4-bromo-2,3-dihydro-1h-inden-1-amine hydrochloride

Structural Information

Molecular Formula
C9H10BrN
SMILES
C1CC2=C([C@@H]1N)C=CC=C2Br
InChI
InChI=1S/C9H10BrN/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3,9H,4-5,11H2/t9-/m1/s1
InChIKey
MVGZSXVETDUUMZ-SECBINFHSA-N
Compound name
(1R)-4-bromo-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

210.99966 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.006936 140.9
[M+Na]+ 233.988878 152.8
[M-H]- 209.992384 147.8
[M+NH4]+ 229.033483 165.8
[M+K]+ 249.962818 141.2
[M+H-H2O]+ 193.996920 141.4
[M+HCOO]- 255.997861 162.5
[M+CH3COO]- 270.013511 156.4
[M+Na-2H]- 231.974326 147.4
[M]+ 210.99911142 156.6
[M]- 211.00020858 156.6
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