CID 16217432

(3r)-(-)-3-(1-methyl-1h-indol-3-yl)-1-butanol

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

C[C@H](CCO)C1=CN(C2=CC=CC=C21)C

InChI

InChI=1S/C13H17NO/c1-10(7-8-15)12-9-14(2)13-6-4-3-5-11(12)13/h3-6,9-10,15H,7-8H2,1-2H3/t10-/m1/s1

InChIKey

WHQZINALYHALBY-SNVBAGLBSA-N

Compound name

(3R)-3-(1-methylindol-3-yl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.13101 Da
Monoisotopic Mass: 2.3
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]+	204.138286	145.9
[M+Na]+	226.120228	155.2
[M-H]-	202.123734	148.3
[M+NH4]+	221.164833	166.5
[M+K]+	242.094168	151.4
[M+H-H2O]+	186.128270	139.8
[M+HCOO]-	248.129211	167.7
[M+CH3COO]-	262.144861	185.6
[M+Na-2H]-	224.105676	150.5
[M]+	203.13046142	148.5
[M]-	203.13155858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.