CID 288726

99337-98-1

Structural Information

Molecular Formula

C₁₄H₁₅NO₃

SMILES

C1CC(CCC1N2C(=O)C3=CC=CC=C3C2=O)O

InChI

InChI=1S/C14H15NO3/c16-10-7-5-9(6-8-10)15-13(17)11-3-1-2-4-12(11)14(15)18/h1-4,9-10,16H,5-8H2

InChIKey

YLHCMDNAKVPTIO-UHFFFAOYSA-N

Compound name

2-(4-hydroxycyclohexyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 402
Patents: 245.1052 Da
Monoisotopic Mass: 2.0
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]+	246.11248	155.3
[M+Na]+	268.09442	166.8
[M+NH4]+	263.13902	163.3
[M+K]+	284.06836	162.5
[M-H]-	244.09792	157.7
[M+Na-2H]-	266.07987	159.4
[M]+	245.10465	157.3
[M]-	245.10575	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe