CID 375152

Koenoline

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

COC1=CC(=CC2=C1NC3=CC=CC=C32)CO

InChI

InChI=1S/C14H13NO2/c1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13/h2-7,15-16H,8H2,1H3

InChIKey

KNKVHLASDDREQS-UHFFFAOYSA-N

Compound name

(1-methoxy-9H-carbazol-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 16
Patents: 227.09464 Da
Monoisotopic Mass: 2.5
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]+	228.10192	148.3
[M+Na]+	250.08386	159.1
[M-H]-	226.08736	150.8
[M+NH4]+	245.12846	168.3
[M+K]+	266.05780	153.6
[M+H-H2O]+	210.09190	142.2
[M+HCOO]-	272.09284	169.2
[M+CH3COO]-	286.10849	161.4
[M+Na-2H]-	248.06931	155.4
[M]+	227.09409	150.6
[M]-	227.09519	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe