CID 11276313

Hibicuslide c

Structural Information

Molecular Formula

C₁₃H₁₂O₄

SMILES

CC1=CC2=C(C(=C(C=C2)O)C=O)C(=C1OC)O

InChI

InChI=1S/C13H12O4/c1-7-5-8-3-4-10(15)9(6-14)11(8)12(16)13(7)17-2/h3-6,15-16H,1-2H3

InChIKey

SITNBMVOMZOXOP-UHFFFAOYSA-N

Compound name

2,8-dihydroxy-7-methoxy-6-methylnaphthalene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 232.07356 Da
Monoisotopic Mass: 2.8
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]+	233.08084	147.1
[M+Na]+	255.06278	157.9
[M-H]-	231.06628	150.3
[M+NH4]+	250.10738	165.8
[M+K]+	271.03672	154.5
[M+H-H2O]+	215.07082	141.7
[M+HCOO]-	277.07176	168.1
[M+CH3COO]-	291.08741	189.3
[M+Na-2H]-	253.04823	152.2
[M]+	232.07301	150.6
[M]-	232.07411	150.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.