CID 11514130

Atam compound

Structural Information

Molecular Formula

C₁₄H₁₆N₂O

SMILES

C1CCC2=NC3=C(C=CC=C3C(=C2C1)N)CO

InChI

InChI=1S/C14H16N2O/c15-13-10-5-1-2-7-12(10)16-14-9(8-17)4-3-6-11(13)14/h3-4,6,17H,1-2,5,7-8H2,(H2,15,16)

InChIKey

LUWHOGXZYIVPJP-UHFFFAOYSA-N

Compound name

(9-amino-5,6,7,8-tetrahydroacridin-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 228.12627 Da
Monoisotopic Mass: 1.8
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]+	229.133546	150.0
[M+Na]+	251.115488	157.6
[M-H]-	227.118994	152.0
[M+NH4]+	246.160093	167.9
[M+K]+	267.089428	152.4
[M+H-H2O]+	211.123530	142.7
[M+HCOO]-	273.124471	167.5
[M+CH3COO]-	287.140121	161.2
[M+Na-2H]-	249.100936	156.9
[M]+	228.12572142	146.0
[M]-	228.12681858	146.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.