CID 119405

5,6-dihydroxy-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C9H7NO4
SMILES
C1=C2C=C(NC2=CC(=C1O)O)C(=O)O
InChI
InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10-12H,(H,13,14)
InChIKey
YFTGOBNOJKXZJC-UHFFFAOYSA-N
Compound name
5,6-dihydroxy-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

147
References

3823
Patents

193.0375 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.044776 136.2
[M+Na]+ 216.026718 146.7
[M-H]- 192.030224 135.6
[M+NH4]+ 211.071323 155.0
[M+K]+ 232.000658 142.5
[M+H-H2O]+ 176.034760 131.4
[M+HCOO]- 238.035701 155.5
[M+CH3COO]- 252.051351 173.2
[M+Na-2H]- 214.012166 141.1
[M]+ 193.03695142 135.9
[M]- 193.03804858 135.9
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