CID 82158932

3-amino-6-bromo-2,3-dihydro-1h-inden-1-ol

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1C(C2=C(C1O)C=C(C=C2)Br)N
InChI
InChI=1S/C9H10BrNO/c10-5-1-2-6-7(3-5)9(12)4-8(6)11/h1-3,8-9,12H,4,11H2
InChIKey
GAXYMVNYFVDZLO-UHFFFAOYSA-N
Compound name
3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

226.99458 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.001856 144.1
[M+Na]+ 249.983798 156.2
[M-H]- 225.987304 150.0
[M+NH4]+ 245.028403 167.8
[M+K]+ 265.957738 144.2
[M+H-H2O]+ 209.991840 144.7
[M+HCOO]- 271.992781 164.3
[M+CH3COO]- 286.008431 186.4
[M+Na-2H]- 247.969246 149.4
[M]+ 226.99403142 159.7
[M]- 226.99512858 159.7
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