CID 139035

88210-96-2

Structural Information

Molecular Formula
C11H11NO4
SMILES
COC1=C(C=C2C(=C1)C=C(N2)C(=O)O)OC
InChI
InChI=1S/C11H11NO4/c1-15-9-4-6-3-8(11(13)14)12-7(6)5-10(9)16-2/h3-5,12H,1-2H3,(H,13,14)
InChIKey
UZHQHNDRVITJPL-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

158
Patents

221.0688 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 144.4
[M+Na]+ 244.05802 154.8
[M-H]- 220.06152 146.2
[M+NH4]+ 239.10262 163.4
[M+K]+ 260.03196 151.9
[M+H-H2O]+ 204.06606 138.7
[M+HCOO]- 266.06700 166.0
[M+CH3COO]- 280.08265 183.8
[M+Na-2H]- 242.04347 149.1
[M]+ 221.06825 148.4
[M]- 221.06935 148.4
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