CID 37631

Refchem:909564

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

82
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.