CID 88958

21598-06-1

Structural Information

Molecular Formula
C9H7NO3
SMILES
C1=CC2=C(C=C1O)C=C(N2)C(=O)O
InChI
InChI=1S/C9H7NO3/c11-6-1-2-7-5(3-6)4-8(10-7)9(12)13/h1-4,10-11H,(H,12,13)
InChIKey
BIMHWDJKNOMNLD-UHFFFAOYSA-N
Compound name
5-hydroxy-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

681
Patents

177.04259 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04987 134.0
[M+Na]+ 200.03181 145.9
[M+NH4]+ 195.07641 141.3
[M+K]+ 216.00575 143.3
[M-H]- 176.03531 133.5
[M+Na-2H]- 198.01726 138.6
[M]+ 177.04204 135.3
[M]- 177.04314 135.3
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

patents stripe