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]+ 242.01750 146.1
[M+Na]+ 263.99944 156.6
[M-H]- 240.00294 151.4
[M+NH4]+ 259.04404 167.4
[M+K]+ 279.97338 144.6
[M+H-H2O]+ 224.00748 146.2
[M+HCOO]- 286.00842 163.9
[M+CH3COO]- 300.02407 189.6
[M+Na-2H]- 261.98489 152.3
[M]+ 241.00967 160.0
[M]- 241.01077 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.