CID 3277484

67520-95-0

Structural Information

Molecular Formula
C12H13NO4
SMILES
CCOC(=O)C(C1C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C12H13NO4/c1-2-17-12(16)10(14)9-7-5-3-4-6-8(7)13-11(9)15/h3-6,9-10,14H,2H2,1H3,(H,13,15)
InChIKey
CGZFUPWIQMCFND-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxy-2-(2-oxo-1,3-dihydroindol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08446 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 151.2
[M+Na]+ 258.07368 158.3
[M-H]- 234.07718 151.7
[M+NH4]+ 253.11828 169.0
[M+K]+ 274.04762 155.4
[M+H-H2O]+ 218.08172 145.3
[M+HCOO]- 280.08266 168.8
[M+CH3COO]- 294.09831 185.7
[M+Na-2H]- 256.05913 152.9
[M]+ 235.08391 150.8
[M]- 235.08501 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.