CID 135611794

3-acridinol

Structural Information

Molecular Formula
C13H9NO
SMILES
C1=CC=C2C(=C1)C=C3C=CC(=CC3=N2)O
InChI
InChI=1S/C13H9NO/c15-11-6-5-10-7-9-3-1-2-4-12(9)14-13(10)8-11/h1-8,15H
InChIKey
PCQLWQDFGQKOAO-UHFFFAOYSA-N
Compound name
acridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

195.06842 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07570 138.0
[M+Na]+ 218.05764 149.1
[M-H]- 194.06114 141.7
[M+NH4]+ 213.10224 157.9
[M+K]+ 234.03158 143.9
[M+H-H2O]+ 178.06568 131.1
[M+HCOO]- 240.06662 159.8
[M+CH3COO]- 254.08227 151.8
[M+Na-2H]- 216.04309 149.8
[M]+ 195.06787 139.2
[M]- 195.06897 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe