CID 314749

3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one

Structural Information

Molecular Formula
C14H15NO3
SMILES
C1CCC(=O)C(C1)C2(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C14H15NO3/c16-12-8-4-2-6-10(12)14(18)9-5-1-3-7-11(9)15-13(14)17/h1,3,5,7,10,18H,2,4,6,8H2,(H,15,17)
InChIKey
VWHKAOILSLADJS-UHFFFAOYSA-N
Compound name
3-hydroxy-3-(2-oxocyclohexyl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

245.1052 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 156.1
[M+Na]+ 268.09442 166.8
[M+NH4]+ 263.13902 165.2
[M+K]+ 284.06836 160.8
[M-H]- 244.09792 157.9
[M+Na-2H]- 266.07987 161.3
[M]+ 245.10465 158.0
[M]- 245.10575 158.0
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.