CID 37631

6-amino-5,6,7,8-tetrahydro-1,2-naphthalenediol hydrobromide

Structural Information

Molecular Formula
C10H13NO2
SMILES
C1CC2=C(CC1N)C=CC(=C2O)O
InChI
InChI=1S/C10H13NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1,4,7,12-13H,2-3,5,11H2
InChIKey
FSMRTTIHBZCVJG-UHFFFAOYSA-N
Compound name
6-amino-5,6,7,8-tetrahydronaphthalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

77
Patents

179.09464 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 136.4
[M+Na]+ 202.08386 143.8
[M-H]- 178.08736 138.0
[M+NH4]+ 197.12846 156.1
[M+K]+ 218.05780 140.2
[M+H-H2O]+ 162.09190 131.3
[M+HCOO]- 224.09284 155.4
[M+CH3COO]- 238.10849 179.3
[M+Na-2H]- 200.06931 141.7
[M]+ 179.09409 131.3
[M]- 179.09519 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe