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]+ 192.06552 139.2
[M+Na]+ 214.04746 147.0
[M-H]- 190.05096 141.3
[M+NH4]+ 209.09206 159.5
[M+K]+ 230.02140 144.9
[M+H-H2O]+ 174.05550 133.4
[M+HCOO]- 236.05644 159.0
[M+CH3COO]- 250.07209 178.0
[M+Na-2H]- 212.03291 143.1
[M]+ 191.05769 138.2
[M]- 191.05879 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.