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 150.2
[M+Na]+ 256.05802 161.1
[M+NH4]+ 251.10262 156.4
[M+K]+ 272.03196 158.4
[M-H]- 232.06152 149.4
[M+Na-2H]- 254.04347 152.3
[M]+ 233.06825 151.1
[M]- 233.06935 151.1
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.