CID 25220601

1018243-08-7

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1CN(C2=CC=CC=C21)C(=O)C(=O)O
InChI
InChI=1S/C10H9NO3/c12-9(10(13)14)11-6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H,13,14)
InChIKey
VFSXKTOUXOEVGL-UHFFFAOYSA-N
Compound name
2-(2,3-dihydroindol-1-yl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05824 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 139.2
[M+Na]+ 214.047458 147.0
[M-H]- 190.050964 141.3
[M+NH4]+ 209.092063 159.5
[M+K]+ 230.021398 144.9
[M+H-H2O]+ 174.055500 133.4
[M+HCOO]- 236.056441 159.0
[M+CH3COO]- 250.072091 178.0
[M+Na-2H]- 212.032906 143.1
[M]+ 191.05769142 138.2
[M]- 191.05878858 138.2
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.