CID 13577106

76029-42-0

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

C1CC=CC(C1)ON2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H13NO3/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h2,4-6,8-10H,1,3,7H2

InChIKey

QXFTXVXMRKJENL-UHFFFAOYSA-N

Compound name

2-cyclohex-2-en-1-yloxyisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 243.08954 Da
Monoisotopic Mass: 2.4
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]+	244.096816	152.2
[M+Na]+	266.078758	160.2
[M-H]-	242.082264	158.4
[M+NH4]+	261.123363	170.9
[M+K]+	282.052698	156.6
[M+H-H2O]+	226.086800	144.7
[M+HCOO]-	288.087741	172.5
[M+CH3COO]-	302.103391	191.2
[M+Na-2H]-	264.064206	155.6
[M]+	243.08899142	151.1
[M]-	243.09008858	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe