CID 11264975

Koeniginequinone a

Structural Information

Molecular Formula

C₁₄H₁₁NO₃

SMILES

CC1=CC(=O)C2=C(C1=O)C3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C14H11NO3/c1-7-5-11(16)13-12(14(7)17)9-4-3-8(18-2)6-10(9)15-13/h3-6,15H,1-2H3

InChIKey

FBXPHUZRLGTRFW-UHFFFAOYSA-N

Compound name

7-methoxy-3-methyl-9H-carbazole-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2
Patents: 241.0739 Da
Monoisotopic Mass: 2.3
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]+	242.08118	150.1
[M+Na]+	264.06312	162.6
[M-H]-	240.06662	154.4
[M+NH4]+	259.10772	170.5
[M+K]+	280.03706	157.6
[M+H-H2O]+	224.07116	144.2
[M+HCOO]-	286.07210	171.6
[M+CH3COO]-	300.08775	192.1
[M+Na-2H]-	262.04857	155.4
[M]+	241.07335	153.7
[M]-	241.07445	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe