CID 4777760

Methyl 5,6-dimethoxy-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C12H13NO4
SMILES
COC1=C(C=C2C(=C1)C=C(N2)C(=O)OC)OC
InChI
InChI=1S/C12H13NO4/c1-15-10-5-7-4-9(12(14)17-3)13-8(7)6-11(10)16-2/h4-6,13H,1-3H3
InChIKey
SBCKSKZNFJUHAQ-UHFFFAOYSA-N
Compound name
methyl 5,6-dimethoxy-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

235.08446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 149.8
[M+Na]+ 258.07368 162.1
[M+NH4]+ 253.11828 156.7
[M+K]+ 274.04762 158.9
[M-H]- 234.07718 149.8
[M+Na-2H]- 256.05913 154.2
[M]+ 235.08391 151.4
[M]- 235.08501 151.4
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