CID 36460

33417-17-3

Structural Information

Molecular Formula
C11H11NO3
SMILES
CC(=O)CC1(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C11H11NO3/c1-7(13)6-11(15)8-4-2-3-5-9(8)12-10(11)14/h2-5,15H,6H2,1H3,(H,12,14)
InChIKey
CBMTTXBZZZABGG-UHFFFAOYSA-N
Compound name
3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

20
Patents

205.0739 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 143.2
[M+Na]+ 228.06312 152.3
[M-H]- 204.06662 144.3
[M+NH4]+ 223.10772 164.5
[M+K]+ 244.03706 148.6
[M+H-H2O]+ 188.07116 138.4
[M+HCOO]- 250.07210 162.1
[M+CH3COO]- 264.08775 179.7
[M+Na-2H]- 226.04857 147.9
[M]+ 205.07335 142.2
[M]- 205.07445 142.2
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