CID 18539

1,2,3,4-tetrahydro-5-aminoacridine

Structural Information

Molecular Formula
C13H14N2
SMILES
C1CCC2=C(C1)C=C3C=CC=C(C3=N2)N
InChI
InChI=1S/C13H14N2/c14-11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h3,5-6,8H,1-2,4,7,14H2
InChIKey
MOWGHIVIVXUXBY-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroacridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

198.11569 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 141.5
[M+Na]+ 221.10491 149.1
[M-H]- 197.10841 144.7
[M+NH4]+ 216.14951 161.0
[M+K]+ 237.07885 144.3
[M+H-H2O]+ 181.11295 134.0
[M+HCOO]- 243.11389 160.6
[M+CH3COO]- 257.12954 153.6
[M+Na-2H]- 219.09036 150.0
[M]+ 198.11514 137.0
[M]- 198.11624 137.0
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