CID 4178998

55618-86-5

Structural Information

Molecular Formula
C15H15NO2
SMILES
COC(=O)C1=C2CCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C15H15NO2/c1-18-15(17)14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2,4,6,8H,3,5,7,9H2,1H3
InChIKey
UIINMWIYQHIFQH-UHFFFAOYSA-N
Compound name
methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

241.11028 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.117556 152.9
[M+Na]+ 264.099498 160.2
[M-H]- 240.103004 156.4
[M+NH4]+ 259.144103 171.0
[M+K]+ 280.073438 156.5
[M+H-H2O]+ 224.107540 145.1
[M+HCOO]- 286.108481 170.5
[M+CH3COO]- 300.124131 164.6
[M+Na-2H]- 262.084946 159.7
[M]+ 241.10973142 152.1
[M]- 241.11082858 152.1
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

No patent data available for this compound.