CID 583946

5-hydroxy-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C9H7NO3
SMILES
C1=CC2=C(C=C1O)C(=CN2)C(=O)O
InChI
InChI=1S/C9H7NO3/c11-5-1-2-8-6(3-5)7(4-10-8)9(12)13/h1-4,10-11H,(H,12,13)
InChIKey
RVWZUOPFHTYIEO-UHFFFAOYSA-N
Compound name
5-hydroxy-1H-indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3701
Patents

177.04259 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.049866 133.1
[M+Na]+ 200.031808 143.3
[M-H]- 176.035314 133.5
[M+NH4]+ 195.076413 153.0
[M+K]+ 216.005748 139.3
[M+H-H2O]+ 160.039850 128.0
[M+HCOO]- 222.040791 153.8
[M+CH3COO]- 236.056441 172.0
[M+Na-2H]- 198.017256 139.0
[M]+ 177.04204142 132.7
[M]- 177.04313858 132.7
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

patents stripe