CID 82599267

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

Structural Information

Molecular Formula
C9H7NO3
SMILES
C1=CC2=C(C=CN2)C(=C1C(=O)O)O
InChI
InChI=1S/C9H7NO3/c11-8-5-3-4-10-7(5)2-1-6(8)9(12)13/h1-4,10-11H,(H,12,13)
InChIKey
LYTGNSALZGSKSI-UHFFFAOYSA-N
Compound name
4-hydroxy-1H-indole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.04259 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04987 133.1
[M+Na]+ 200.03181 143.3
[M-H]- 176.03531 133.5
[M+NH4]+ 195.07641 153.0
[M+K]+ 216.00575 139.3
[M+H-H2O]+ 160.03985 128.0
[M+HCOO]- 222.04079 153.8
[M+CH3COO]- 236.05644 172.0
[M+Na-2H]- 198.01726 139.0
[M]+ 177.04204 132.7
[M]- 177.04314 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

No literature data available for this compound.

Patent stripe

patents stripe