CID 15981606

1h-indole-1-propanol

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

C1=CC=C2C(=C1)C=CN2CCCO

InChI

InChI=1S/C11H13NO/c13-9-3-7-12-8-6-10-4-1-2-5-11(10)12/h1-2,4-6,8,13H,3,7,9H2

InChIKey

BOXDPPLUKGIQLV-UHFFFAOYSA-N

Compound name

3-indol-1-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 133
Patents: 175.09972 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]+	176.106996	136.1
[M+Na]+	198.088938	145.6
[M-H]-	174.092444	138.4
[M+NH4]+	193.133543	157.6
[M+K]+	214.062878	141.9
[M+H-H2O]+	158.096980	130.0
[M+HCOO]-	220.097921	159.6
[M+CH3COO]-	234.113571	177.7
[M+Na-2H]-	196.074386	143.7
[M]+	175.09917142	138.2
[M]-	175.10026858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe