CID 273534

14370-71-9

Structural Information

Molecular Formula
C10H7NO4
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)C(=O)C(=O)O
InChI
InChI=1S/C10H7NO4/c12-8(10(14)15)7-5-3-1-2-4-6(5)11-9(7)13/h1-4,11,13H,(H,14,15)
InChIKey
AXSAUKZXDCMVJI-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

205.0375 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04478 139.7
[M+Na]+ 228.02672 149.2
[M-H]- 204.03022 140.0
[M+NH4]+ 223.07132 158.1
[M+K]+ 244.00066 145.5
[M+H-H2O]+ 188.03476 134.3
[M+HCOO]- 250.03570 159.3
[M+CH3COO]- 264.05135 177.4
[M+Na-2H]- 226.01217 143.9
[M]+ 205.03695 139.7
[M]- 205.03805 139.7
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.