CID 710476

37509-14-1

Structural Information

Molecular Formula

C₁₄H₁₂BrNO₂

SMILES

C1CCC2=NC3=C(C=C(C=C3)Br)C(=C2C1)C(=O)O

InChI

InChI=1S/C14H12BrNO2/c15-8-5-6-12-10(7-8)13(14(17)18)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H,17,18)

InChIKey

INXRKMNRRUIKBF-UHFFFAOYSA-N

Compound name

7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 6
Patents: 305.00513 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	306.01241	160.8
[M+Na]+	327.99435	171.3
[M-H]-	303.99785	165.8
[M+NH4]+	323.03895	179.5
[M+K]+	343.96829	159.4
[M+H-H2O]+	288.00239	160.2
[M+HCOO]-	350.00333	175.0
[M+CH3COO]-	364.01898	173.5
[M+Na-2H]-	325.97980	167.5
[M]+	305.00458	177.1
[M]-	305.00568	177.1

Literature stripe

literature stripe

Patent stripe

patents stripe