CID 11971051

3-(1h-indol-3-yl)butan-1-ol

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

CC(CCO)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C12H15NO/c1-9(6-7-14)11-8-13-12-5-3-2-4-10(11)12/h2-5,8-9,13-14H,6-7H2,1H3

InChIKey

DBLCQDJUAPOYPD-UHFFFAOYSA-N

Compound name

3-(1H-indol-3-yl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 189.11537 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]+	190.12265	141.5
[M+Na]+	212.10459	154.0
[M+NH4]+	207.14919	150.1
[M+K]+	228.07853	149.1
[M-H]-	188.10809	142.7
[M+Na-2H]-	210.09004	147.3
[M]+	189.11482	143.6
[M]-	189.11592	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe