CID 3153

Adtn

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1CC2=CC(=C(C=C2CC1N)O)O

InChI

InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2

InChIKey

ASXGAOFCKGHGMF-UHFFFAOYSA-N

Compound name

6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 192
References: 242
Patents: 179.09464 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	180.10192	136.1
[M+Na]+	202.08386	147.6
[M+NH4]+	197.12846	145.0
[M+K]+	218.05780	142.0
[M-H]-	178.08736	138.6
[M+Na-2H]-	200.06931	140.9
[M]+	179.09409	138.2
[M]-	179.09519	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe