CID 1826

5-hydroxyindole-3-acetic acid

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1=CC2=C(C=C1O)C(=CN2)CC(=O)O
InChI
InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
InChIKey
DUUGKQCEGZLZNO-UHFFFAOYSA-N
Compound name
2-(5-hydroxy-1H-indol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

9616
References

8553
Patents

191.05824 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 137.7
[M+Na]+ 214.047458 147.5
[M-H]- 190.050964 138.0
[M+NH4]+ 209.092063 157.1
[M+K]+ 230.021398 143.3
[M+H-H2O]+ 174.055500 132.4
[M+HCOO]- 236.056441 158.1
[M+CH3COO]- 250.072091 175.0
[M+Na-2H]- 212.032906 143.1
[M]+ 191.05769142 137.7
[M]- 191.05878858 137.7
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