CID 11352

1-aminoacridine

Structural Information

Molecular Formula
C13H10N2
SMILES
C1=CC=C2C(=C1)C=C3C(=N2)C=CC=C3N
InChI
InChI=1S/C13H10N2/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)15-13/h1-8H,14H2
InChIKey
LOMMDWBTANPFEJ-UHFFFAOYSA-N
Compound name
acridin-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

4107
Patents

194.0844 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.091676 138.4
[M+Na]+ 217.073618 149.2
[M-H]- 193.077124 142.8
[M+NH4]+ 212.118223 158.5
[M+K]+ 233.047558 143.8
[M+H-H2O]+ 177.081660 131.1
[M+HCOO]- 239.082601 161.9
[M+CH3COO]- 253.098251 152.2
[M+Na-2H]- 215.059066 150.1
[M]+ 194.08385142 138.3
[M]- 194.08494858 138.3
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