CID 74592

1830-56-4

Structural Information

Molecular Formula

C₁₃H₁₁NO

SMILES

CCN1C2=CC=CC3=C2C(=CC=C3)C1=O

InChI

InChI=1S/C13H11NO/c1-2-14-11-8-4-6-9-5-3-7-10(12(9)11)13(14)15/h3-8H,2H2,1H3

InChIKey

BYZKRKXJSNSHEE-UHFFFAOYSA-N

Compound name

1-ethylbenzo[cd]indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 74
Patents: 197.08406 Da
Monoisotopic Mass: 2.6
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	141.0
[M+Na]+	220.07328	155.7
[M+NH4]+	215.11788	151.2
[M+K]+	236.04722	149.3
[M-H]-	196.07678	143.6
[M+Na-2H]-	218.05873	146.7
[M]+	197.08351	143.9
[M]-	197.08461	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe