CID 11275870

370861-68-0

Structural Information

Molecular Formula
C9H10BrN
SMILES
C1[C@H](CC2=C1C=CC(=C2)Br)N
InChI
InChI=1S/C9H10BrN/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9H,4-5,11H2/t9-/m1/s1
InChIKey
RWAVYCTUVYJSMU-SECBINFHSA-N
Compound name
(2R)-5-bromo-2,3-dihydro-1H-inden-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

210.99966 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00694 140.9
[M+Na]+ 233.98888 152.8
[M-H]- 209.99238 147.8
[M+NH4]+ 229.03348 165.8
[M+K]+ 249.96282 141.2
[M+H-H2O]+ 193.99692 141.4
[M+HCOO]- 255.99786 162.5
[M+CH3COO]- 270.01351 156.4
[M+Na-2H]- 231.97433 147.4
[M]+ 210.99911 156.6
[M]- 211.00021 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