CID 2771941

2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

Structural Information

Molecular Formula
C15H15NO2
SMILES
CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)O
InChI
InChI=1S/C15H15NO2/c1-9-6-7-13-11(8-9)14(15(17)18)10-4-2-3-5-12(10)16-13/h2-5,9H,6-8H2,1H3,(H,17,18)
InChIKey
ZKCKKMVBVAVEIY-UHFFFAOYSA-N
Compound name
2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

241.11028 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 153.0
[M+Na]+ 264.09950 160.8
[M-H]- 240.10300 155.5
[M+NH4]+ 259.14410 170.7
[M+K]+ 280.07344 156.3
[M+H-H2O]+ 224.10754 145.8
[M+HCOO]- 286.10848 169.0
[M+CH3COO]- 300.12413 164.4
[M+Na-2H]- 262.08495 158.7
[M]+ 241.10973 151.0
[M]- 241.11083 151.0
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