CID 3072820

1,4-acridinediol, 1,2,3,4-tetrahydro-9-amino-

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂

SMILES

C1CC(C2=NC3=CC=CC=C3C(=C2C1O)N)O

InChI

InChI=1S/C13H14N2O2/c14-12-7-3-1-2-4-8(7)15-13-10(17)6-5-9(16)11(12)13/h1-4,9-10,16-17H,5-6H2,(H2,14,15)

InChIKey

IYHDVHNLLXAHLY-UHFFFAOYSA-N

Compound name

9-amino-1,2,3,4-tetrahydroacridine-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 230.10553 Da
Monoisotopic Mass: 0.3
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]+	231.112806	149.3
[M+Na]+	253.094748	157.7
[M-H]-	229.098254	150.5
[M+NH4]+	248.139353	166.6
[M+K]+	269.068688	152.6
[M+H-H2O]+	213.102790	142.6
[M+HCOO]-	275.103731	165.7
[M+CH3COO]-	289.119381	160.4
[M+Na-2H]-	251.080196	155.6
[M]+	230.10498142	145.0
[M]-	230.10607858	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe