CID 2757337

2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)O
InChI
InChI=1S/C18H21NO2/c1-18(2,3)11-8-9-15-13(10-11)16(17(20)21)12-6-4-5-7-14(12)19-15/h4-7,11H,8-10H2,1-3H3,(H,20,21)
InChIKey
OLFUQJZKMJBHMQ-UHFFFAOYSA-N
Compound name
2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

283.15723 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 167.8
[M+Na]+ 306.146448 174.7
[M-H]- 282.149954 170.1
[M+NH4]+ 301.191053 183.9
[M+K]+ 322.120388 170.1
[M+H-H2O]+ 266.154490 160.7
[M+HCOO]- 328.155431 181.1
[M+CH3COO]- 342.171081 201.7
[M+Na-2H]- 304.131896 172.7
[M]+ 283.15668142 166.3
[M]- 283.15777858 166.3
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.