CID 767127

832-83-7

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

C=CCN1C2=CC=CC=C2C(=C1O)N=N

InChI

InChI=1S/C11H11N3O/c1-2-7-14-9-6-4-3-5-8(9)10(13-12)11(14)15/h2-6,12,15H,1,7H2

InChIKey

PHZQZWKIDXHJTP-UHFFFAOYSA-N

Compound name

3-diazenyl-1-prop-2-enylindol-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 201.09021 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]+	202.09749	140.5
[M+Na]+	224.07943	151.1
[M-H]-	200.08293	145.0
[M+NH4]+	219.12403	161.3
[M+K]+	240.05337	146.9
[M+H-H2O]+	184.08747	133.9
[M+HCOO]-	246.08841	168.0
[M+CH3COO]-	260.10406	190.7
[M+Na-2H]-	222.06488	148.2
[M]+	201.08966	142.5
[M]-	201.09076	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe