CID 602451

9h-xanthen-9-amine

Structural Information

Molecular Formula

C₁₃H₁₁NO

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)N

InChI

InChI=1S/C13H11NO/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13H,14H2

InChIKey

OTTYHRLXKGOXLY-UHFFFAOYSA-N

Compound name

9H-xanthen-9-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 756
Patents: 197.08406 Da
Monoisotopic Mass: 1.6
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]+	198.09134	138.9
[M+Na]+	220.07328	147.7
[M-H]-	196.07678	144.8
[M+NH4]+	215.11788	158.7
[M+K]+	236.04722	144.6
[M+H-H2O]+	180.08132	132.4
[M+HCOO]-	242.08226	160.2
[M+CH3COO]-	256.09791	152.4
[M+Na-2H]-	218.05873	149.2
[M]+	197.08351	137.5
[M]-	197.08461	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe