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

1
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 155.1
[M+Na]+ 268.09442 162.3
[M-H]- 244.09792 158.5
[M+NH4]+ 263.13902 174.4
[M+K]+ 284.06836 157.3
[M+H-H2O]+ 228.10246 148.8
[M+HCOO]- 290.10340 171.0
[M+CH3COO]- 304.11905 166.2
[M+Na-2H]- 266.07987 157.8
[M]+ 245.10465 149.3
[M]- 245.10575 149.3
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

patents stripe