CID 101508363

3-formyl-2-hydroxy-6-methoxycarbazole

Structural Information

Molecular Formula

C₁₃H₉NO₃

SMILES

C1=CC2=C(C=C1O)C3=C(N2)C=C(C(=C3)C=O)O

InChI

InChI=1S/C13H9NO3/c15-6-7-3-9-10-4-8(16)1-2-11(10)14-12(9)5-13(7)17/h1-6,14,16-17H

InChIKey

RCFXXMDGOAHNQH-UHFFFAOYSA-N

Compound name

2,6-dihydroxy-9H-carbazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.05824 Da
Monoisotopic Mass: 2.7
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]+	228.065516	146.0
[M+Na]+	250.047458	157.9
[M-H]-	226.050964	147.8
[M+NH4]+	245.092063	165.5
[M+K]+	266.021398	151.9
[M+H-H2O]+	210.055500	140.7
[M+HCOO]-	272.056441	166.1
[M+CH3COO]-	286.072091	159.2
[M+Na-2H]-	248.032906	152.7
[M]+	227.05769142	147.5
[M]-	227.05878858	147.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.