CID 85880351

(r)-2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid

Structural Information

Molecular Formula
C10H9NO5
SMILES
C1=CC2=C(C=C1O)C(C(=O)N2)(CC(=O)O)O
InChI
InChI=1S/C10H9NO5/c12-5-1-2-7-6(3-5)10(16,4-8(13)14)9(15)11-7/h1-3,12,16H,4H2,(H,11,15)(H,13,14)
InChIKey
BSACCBRVBZORKX-UHFFFAOYSA-N
Compound name
2-(3,5-dihydroxy-2-oxo-1H-indol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.04807 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05535 146.1
[M+Na]+ 246.03729 154.9
[M+NH4]+ 241.08189 152.7
[M+K]+ 262.01123 152.3
[M-H]- 222.04079 143.4
[M+Na-2H]- 244.02274 148.5
[M]+ 223.04752 146.2
[M]- 223.04862 146.2
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.