CID 5024706

Ethyl 3-formyl-5-methyl-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C13H13NO3
SMILES
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C)C=O
InChI
InChI=1S/C13H13NO3/c1-3-17-13(16)12-10(7-15)9-6-8(2)4-5-11(9)14-12/h4-7,14H,3H2,1-2H3
InChIKey
DOQMHUCEKZOCLX-UHFFFAOYSA-N
Compound name
ethyl 3-formyl-5-methyl-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

231.08954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 150.5
[M+Na]+ 254.07876 163.2
[M+NH4]+ 249.12336 157.5
[M+K]+ 270.05270 159.1
[M-H]- 230.08226 150.7
[M+Na-2H]- 252.06421 154.9
[M]+ 231.08899 152.2
[M]- 231.09009 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe