CID 53465569

Mukoline

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

COC1=CC=CC2=C1NC3=C2C=C(C=C3)CO

InChI

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

InChIKey

SGZIASPZRSVPDJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	228.101916	148.3
[M+Na]+	250.083858	159.1
[M-H]-	226.087364	150.8
[M+NH4]+	245.128463	168.3
[M+K]+	266.057798	153.6
[M+H-H2O]+	210.091900	142.2
[M+HCOO]-	272.092841	169.2
[M+CH3COO]-	286.108491	161.4
[M+Na-2H]-	248.069306	155.4
[M]+	227.09409142	150.6
[M]-	227.09518858	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe