CID 151066

3-hydroxy-3-methyloxindole

Structural Information

Molecular Formula
C9H9NO2
SMILES
CC1(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C9H9NO2/c1-9(12)6-4-2-3-5-7(6)10-8(9)11/h2-5,12H,1H3,(H,10,11)
InChIKey
XCHBYBKNFIOSBB-UHFFFAOYSA-N
Compound name
3-hydroxy-3-methyl-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

69
Patents

163.06332 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 132.7
[M+Na]+ 186.05254 144.4
[M+NH4]+ 181.09714 142.5
[M+K]+ 202.02648 138.8
[M-H]- 162.05604 133.1
[M+Na-2H]- 184.03799 138.6
[M]+ 163.06277 134.5
[M]- 163.06387 134.5
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