CID 593963

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

Structural Information

Molecular Formula
C12H13NO2
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2N1)C
InChI
InChI=1S/C12H13NO2/c1-3-15-12(14)11-8(2)9-6-4-5-7-10(9)13-11/h4-7,13H,3H2,1-2H3
InChIKey
OZQXZSIVKVCSDF-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

115
Patents

203.09464 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 143.6
[M+Na]+ 226.08386 156.6
[M+NH4]+ 221.12846 151.7
[M+K]+ 242.05780 152.0
[M-H]- 202.08736 144.6
[M+Na-2H]- 224.06931 149.2
[M]+ 203.09409 145.6
[M]- 203.09519 145.6
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