CID 122480652

1995073-30-7

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

C1CC2=CC3=C(C(=O)CC3)C(=C2C1)N

InChI

InChI=1S/C12H13NO/c13-12-9-3-1-2-7(9)6-8-4-5-10(14)11(8)12/h6H,1-5,13H2

InChIKey

CXNGEODZVFCHSS-UHFFFAOYSA-N

Compound name

8-amino-3,5,6,7-tetrahydro-2H-s-indacen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 187.09972 Da
Monoisotopic Mass: 2.4
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]+	188.10700	139.4
[M+Na]+	210.08894	149.9
[M+NH4]+	205.13354	149.6
[M+K]+	226.06288	146.9
[M-H]-	186.09244	142.3
[M+Na-2H]-	208.07439	142.8
[M]+	187.09917	141.5
[M]-	187.10027	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe