CID 259191

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

Structural Information

Molecular Formula
C10H9NO3
SMILES
COC1=CC2=C(C=C1)NC=C2C(=O)O
InChI
InChI=1S/C10H9NO3/c1-14-6-2-3-9-7(4-6)8(5-11-9)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKey
RVVSEZGJCOAUED-UHFFFAOYSA-N
Compound name
5-methoxy-1H-indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

132
Patents

191.05824 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 138.1
[M+Na]+ 214.04746 150.4
[M+NH4]+ 209.09206 145.5
[M+K]+ 230.02140 147.2
[M-H]- 190.05096 138.1
[M+Na-2H]- 212.03291 143.1
[M]+ 191.05769 139.6
[M]- 191.05879 139.6
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