CID 300802

Ethyl 2-(2-oxo-2,3-dihydro-1h-indol-1-yl)acetate

Structural Information

Molecular Formula
C12H13NO3
SMILES
CCOC(=O)CN1C(=O)CC2=CC=CC=C21
InChI
InChI=1S/C12H13NO3/c1-2-16-12(15)8-13-10-6-4-3-5-9(10)7-11(13)14/h3-6H,2,7-8H2,1H3
InChIKey
GMZLKFLAOQRXHO-UHFFFAOYSA-N
Compound name
ethyl 2-(2-oxo-3H-indol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08954 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 147.2
[M+Na]+ 242.07876 155.7
[M-H]- 218.08226 150.5
[M+NH4]+ 237.12336 167.3
[M+K]+ 258.05270 153.4
[M+H-H2O]+ 202.08680 140.8
[M+HCOO]- 264.08774 168.7
[M+CH3COO]- 278.10339 187.6
[M+Na-2H]- 240.06421 150.9
[M]+ 219.08899 149.8
[M]- 219.09009 149.8
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.