CID 93267

51971-67-6

Structural Information

Molecular Formula

C₁₅H₁₅ClN₂O₃

SMILES

C1CCC(CC1)(C(=O)N)N2C(=O)C3=C(C2=O)C(=CC=C3)Cl

InChI

InChI=1S/C15H15ClN2O3/c16-10-6-4-5-9-11(10)13(20)18(12(9)19)15(14(17)21)7-2-1-3-8-15/h4-6H,1-3,7-8H2,(H2,17,21)

InChIKey

PSAVXKLISNEJJE-UHFFFAOYSA-N

Compound name

1-(4-chloro-1,3-dioxoisoindol-2-yl)cyclohexane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 306.07712 Da
Monoisotopic Mass: 2.1
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]+	307.084396	168.1
[M+Na]+	329.066338	176.4
[M-H]-	305.069844	173.7
[M+NH4]+	324.110943	186.6
[M+K]+	345.040278	170.9
[M+H-H2O]+	289.074380	161.9
[M+HCOO]-	351.075321	181.6
[M+CH3COO]-	365.090971	203.6
[M+Na-2H]-	327.051786	168.5
[M]+	306.07657142	165.9
[M]-	306.07766858	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe