CID 11507570

3h-indole-3,3-dipropanoic acid, 1,2-dihydro-1-methyl-2-oxo-

Structural Information

Molecular Formula
C15H17NO5
SMILES
CN1C2=CC=CC=C2C(C1=O)(CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C15H17NO5/c1-16-11-5-3-2-4-10(11)15(14(16)21,8-6-12(17)18)9-7-13(19)20/h2-5H,6-9H2,1H3,(H,17,18)(H,19,20)
InChIKey
YMHZUODPESFZRC-UHFFFAOYSA-N
Compound name
3-[3-(2-carboxyethyl)-1-methyl-2-oxoindol-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.1107 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11798 164.7
[M+Na]+ 314.09992 172.4
[M-H]- 290.10342 165.3
[M+NH4]+ 309.14452 182.3
[M+K]+ 330.07386 169.2
[M+H-H2O]+ 274.10796 159.5
[M+HCOO]- 336.10890 181.6
[M+CH3COO]- 350.12455 197.5
[M+Na-2H]- 312.08537 165.9
[M]+ 291.11015 167.1
[M]- 291.11125 167.1
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.