CID 3041556

2-acridinecarboxylic acid

Structural Information

Molecular Formula

C₁₄H₉NO₂

SMILES

C1=CC=C2C(=C1)C=C3C=C(C=CC3=N2)C(=O)O

InChI

InChI=1S/C14H9NO2/c16-14(17)10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)15-13/h1-8H,(H,16,17)

InChIKey

ZCIXDWOBWIAUNV-UHFFFAOYSA-N

Compound name

acridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 223.06332 Da
Monoisotopic Mass: 2.8
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]+	224.07060	145.2
[M+Na]+	246.05254	155.6
[M-H]-	222.05604	148.7
[M+NH4]+	241.09714	163.6
[M+K]+	262.02648	150.7
[M+H-H2O]+	206.06058	138.0
[M+HCOO]-	268.06152	165.9
[M+CH3COO]-	282.07717	158.3
[M+Na-2H]-	244.03799	155.2
[M]+	223.06277	146.8
[M]-	223.06387	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe