CID 115097

Octahydroaminoacridine

Structural Information

Molecular Formula
C13H18N2
SMILES
C1CCC2=C(C1)C(=C3CCCCC3=N2)N
InChI
InChI=1S/C13H18N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H2,(H2,14,15)
InChIKey
BMRFESVZYWRROS-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6,7,8-octahydroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

18
Patents

202.147 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 144.3
[M+Na]+ 225.13622 149.7
[M-H]- 201.13972 146.6
[M+NH4]+ 220.18082 163.5
[M+K]+ 241.11016 145.4
[M+H-H2O]+ 185.14426 136.7
[M+HCOO]- 247.14520 160.5
[M+CH3COO]- 261.16085 155.2
[M+Na-2H]- 223.12167 150.6
[M]+ 202.14645 136.9
[M]- 202.14755 136.9
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