CID 58656

101651-85-8

Structural Information

Molecular Formula

C₁₁H₁₅N₃O

SMILES

C1=CC2=C(C=C1O)C(=CN2)CC(CN)N

InChI

InChI=1S/C11H15N3O/c12-5-8(13)3-7-6-14-11-2-1-9(15)4-10(7)11/h1-2,4,6,8,14-15H,3,5,12-13H2

InChIKey

LICGNFDSNHIFDY-UHFFFAOYSA-N

Compound name

3-(2,3-diaminopropyl)-1H-indol-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 205.1215 Da
Monoisotopic Mass: -0.7
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]+	206.12878	144.0
[M+Na]+	228.11072	151.8
[M-H]-	204.11422	144.3
[M+NH4]+	223.15532	162.4
[M+K]+	244.08466	147.1
[M+H-H2O]+	188.11876	137.6
[M+HCOO]-	250.11970	165.7
[M+CH3COO]-	264.13535	186.2
[M+Na-2H]-	226.09617	148.2
[M]+	205.12095	140.6
[M]-	205.12205	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe