CID 23614498

3-propyl-1h-indol-6-ol

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CCCC1=CNC2=C1C=CC(=C2)O

InChI

InChI=1S/C11H13NO/c1-2-3-8-7-12-11-6-9(13)4-5-10(8)11/h4-7,12-13H,2-3H2,1H3

InChIKey

JVAOYWIWGKNINR-UHFFFAOYSA-N

Compound name

3-propyl-1H-indol-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 175.09972 Da
Monoisotopic Mass: 3.4
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]+	176.106996	136.4
[M+Na]+	198.088938	146.5
[M-H]-	174.092444	137.8
[M+NH4]+	193.133543	157.5
[M+K]+	214.062878	141.8
[M+H-H2O]+	158.096980	130.9
[M+HCOO]-	220.097921	158.4
[M+CH3COO]-	234.113571	176.2
[M+Na-2H]-	196.074386	142.9
[M]+	175.09917142	137.1
[M]-	175.10026858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe