CID 74263

1,2,3,4,5,6,7,8-octahydroacridine

Structural Information

Molecular Formula
C13H17N
SMILES
C1CCC2=NC3=C(CCCC3)C=C2C1
InChI
InChI=1S/C13H17N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h9H,1-8H2
InChIKey
LLCXJIQXTXEQID-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6,7,8-octahydroacridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

147
Patents

187.1361 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 140.5
[M+Na]+ 210.12532 145.8
[M-H]- 186.12882 143.1
[M+NH4]+ 205.16992 160.6
[M+K]+ 226.09926 141.8
[M+H-H2O]+ 170.13336 132.9
[M+HCOO]- 232.13430 156.3
[M+CH3COO]- 246.14995 151.9
[M+Na-2H]- 208.11077 148.0
[M]+ 187.13555 134.2
[M]- 187.13665 134.2
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