CID 15009213

157988-96-0

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1CC2=C(C=CC(=C2C(=O)C1)N)O

InChI

InChI=1S/C10H11NO2/c11-7-4-5-8(12)6-2-1-3-9(13)10(6)7/h4-5,12H,1-3,11H2

InChIKey

PLIBWFJWJBJPQS-UHFFFAOYSA-N

Compound name

8-amino-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 177.07898 Da
Monoisotopic Mass: 1.5
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]+	178.086256	134.7
[M+Na]+	200.068198	142.8
[M-H]-	176.071704	137.7
[M+NH4]+	195.112803	155.1
[M+K]+	216.042138	139.5
[M+H-H2O]+	160.076240	129.4
[M+HCOO]-	222.077181	155.4
[M+CH3COO]-	236.092831	180.9
[M+Na-2H]-	198.053646	140.5
[M]+	177.07843142	130.7
[M]-	177.07952858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe