CID 94721

Acridine-9-carboxylic acid

Structural Information

Molecular Formula
C14H9NO2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)O
InChI
InChI=1S/C14H9NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H,16,17)
InChIKey
IYRYQBAAHMBIFT-UHFFFAOYSA-N
Compound name
acridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

1259
Patents

223.06332 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.070596 145.2
[M+Na]+ 246.052538 155.6
[M-H]- 222.056044 148.7
[M+NH4]+ 241.097143 163.6
[M+K]+ 262.026478 150.7
[M+H-H2O]+ 206.060580 138.0
[M+HCOO]- 268.061521 165.9
[M+CH3COO]- 282.077171 158.3
[M+Na-2H]- 244.037986 155.2
[M]+ 223.06277142 146.8
[M]- 223.06386858 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe