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]+ 234.07608 147.9
[M+Na]+ 256.05802 157.8
[M-H]- 232.06152 150.5
[M+NH4]+ 251.10262 167.1
[M+K]+ 272.03196 154.7
[M+H-H2O]+ 216.06606 142.4
[M+HCOO]- 278.06700 168.2
[M+CH3COO]- 292.08265 189.6
[M+Na-2H]- 254.04347 150.1
[M]+ 233.06825 150.3
[M]- 233.06935 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.