CID 821052

5,6,7-trimethoxy-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C12H13NO5
SMILES
COC1=C(C(=C2C(=C1)C=C(N2)C(=O)O)OC)OC
InChI
InChI=1S/C12H13NO5/c1-16-8-5-6-4-7(12(14)15)13-9(6)11(18-3)10(8)17-2/h4-5,13H,1-3H3,(H,14,15)
InChIKey
JZMUJQGIASARGH-UHFFFAOYSA-N
Compound name
5,6,7-trimethoxy-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

145
Patents

251.07938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08666 153.2
[M+Na]+ 274.06860 164.8
[M+NH4]+ 269.11320 159.1
[M+K]+ 290.04254 162.7
[M-H]- 250.07210 152.2
[M+Na-2H]- 272.05405 156.2
[M]+ 251.07883 154.3
[M]- 251.07993 154.3
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