CID 124572260

2089246-49-9

Structural Information

Molecular Formula
C10H12BrNO
SMILES
C1[C@H]([C@H](C2=C1C=C(C=C2)Br)N)CO
InChI
InChI=1S/C10H12BrNO/c11-8-1-2-9-6(4-8)3-7(5-13)10(9)12/h1-2,4,7,10,13H,3,5,12H2/t7-,10+/m0/s1
InChIKey
AQVATOMCWFABCU-OIBJUYFYSA-N
Compound name
[(1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01022 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.017496 148.8
[M+Na]+ 263.999438 160.4
[M-H]- 240.002944 154.4
[M+NH4]+ 259.044043 171.9
[M+K]+ 279.973378 148.2
[M+H-H2O]+ 224.007480 149.1
[M+HCOO]- 286.008421 168.7
[M+CH3COO]- 300.024071 189.2
[M+Na-2H]- 261.984886 153.5
[M]+ 241.00967142 164.6
[M]- 241.01076858 164.6
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

No patent data available for this compound.