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]+ 242.01750 148.8
[M+Na]+ 263.99944 160.4
[M-H]- 240.00294 154.4
[M+NH4]+ 259.04404 171.9
[M+K]+ 279.97338 148.2
[M+H-H2O]+ 224.00748 149.1
[M+HCOO]- 286.00842 168.7
[M+CH3COO]- 300.02407 189.2
[M+Na-2H]- 261.98489 153.5
[M]+ 241.00967 164.6
[M]- 241.01077 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.