CID 43163586

(4-methyl-1h-indol-3-yl)methanol

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CC1=C2C(=CC=C1)NC=C2CO

InChI

InChI=1S/C10H11NO/c1-7-3-2-4-9-10(7)8(6-12)5-11-9/h2-5,11-12H,6H2,1H3

InChIKey

WVIVUJSADWBQDD-UHFFFAOYSA-N

Compound name

(4-methyl-1H-indol-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 161.08406 Da
Monoisotopic Mass: 1.5
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]+	162.091336	131.7
[M+Na]+	184.073278	142.3
[M-H]-	160.076784	133.2
[M+NH4]+	179.117883	153.4
[M+K]+	200.047218	137.8
[M+H-H2O]+	144.081320	126.4
[M+HCOO]-	206.082261	154.1
[M+CH3COO]-	220.097911	145.8
[M+Na-2H]-	182.058726	138.8
[M]+	161.08351142	132.1
[M]-	161.08460858	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe