CID 51600896

90401-57-3

Structural Information

Molecular Formula
C10H12BrNO
SMILES
C1CC2=C(C=CC(=C2)Br)[C@H]([C@@H]1N)O
InChI
InChI=1S/C10H12BrNO/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h2-3,5,9-10,13H,1,4,12H2/t9-,10-/m1/s1
InChIKey
SQGHVXDQPFYPPD-NXEZZACHSA-N
Compound name
(1R,2R)-2-amino-6-bromo-1,2,3,4-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01022 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.017496 146.1
[M+Na]+ 263.999438 156.6
[M-H]- 240.002944 151.4
[M+NH4]+ 259.044043 167.4
[M+K]+ 279.973378 144.6
[M+H-H2O]+ 224.007480 146.2
[M+HCOO]- 286.008421 163.9
[M+CH3COO]- 300.024071 189.6
[M+Na-2H]- 261.984886 152.3
[M]+ 241.00967142 160.0
[M]- 241.01076858 160.0
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.