CID 12247806

2-(1-methyl-1h-indol-3-yl)ethan-1-ol

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CN1C=C(C2=CC=CC=C21)CCO

InChI

InChI=1S/C11H13NO/c1-12-8-9(6-7-13)10-4-2-3-5-11(10)12/h2-5,8,13H,6-7H2,1H3

InChIKey

VRCATDJGVMANRJ-UHFFFAOYSA-N

Compound name

2-(1-methylindol-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 73
Patents: 175.09972 Da
Monoisotopic Mass: 1.6
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]+	176.10700	135.9
[M+Na]+	198.08894	146.4
[M-H]-	174.09244	138.6
[M+NH4]+	193.13354	157.7
[M+K]+	214.06288	142.7
[M+H-H2O]+	158.09698	130.1
[M+HCOO]-	220.09792	159.4
[M+CH3COO]-	234.11357	178.8
[M+Na-2H]-	196.07439	142.9
[M]+	175.09917	138.4
[M]-	175.10027	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe