CID 16777501

2-(5-ethyl-2,3-dioxo-2,3-dihydro-1h-indol-1-yl)acetic acid

Structural Information

Molecular Formula
C12H11NO4
SMILES
CCC1=CC2=C(C=C1)N(C(=O)C2=O)CC(=O)O
InChI
InChI=1S/C12H11NO4/c1-2-7-3-4-9-8(5-7)11(16)12(17)13(9)6-10(14)15/h3-5H,2,6H2,1H3,(H,14,15)
InChIKey
FWOZWOSEGWGXMY-UHFFFAOYSA-N
Compound name
2-(5-ethyl-2,3-dioxoindol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.0688 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.076076 147.9
[M+Na]+ 256.058018 157.8
[M-H]- 232.061524 150.5
[M+NH4]+ 251.102623 167.1
[M+K]+ 272.031958 154.7
[M+H-H2O]+ 216.066060 142.4
[M+HCOO]- 278.067001 168.2
[M+CH3COO]- 292.082651 189.6
[M+Na-2H]- 254.043466 150.1
[M]+ 233.06825142 150.3
[M]- 233.06934858 150.3
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

No patent data available for this compound.