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]+ 236.091736 151.2
[M+Na]+ 258.073678 158.3
[M-H]- 234.077184 151.7
[M+NH4]+ 253.118283 169.0
[M+K]+ 274.047618 155.4
[M+H-H2O]+ 218.081720 145.3
[M+HCOO]- 280.082661 168.8
[M+CH3COO]- 294.098311 185.7
[M+Na-2H]- 256.059126 152.9
[M]+ 235.08391142 150.8
[M]- 235.08500858 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.