CID 1235155

Ethyl 7-methyl-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C12H13NO2
SMILES
CCOC(=O)C1=CC2=CC=CC(=C2N1)C
InChI
InChI=1S/C12H13NO2/c1-3-15-12(14)10-7-9-6-4-5-8(2)11(9)13-10/h4-7,13H,3H2,1-2H3
InChIKey
OQDDMWUDWUIMKB-UHFFFAOYSA-N
Compound name
ethyl 7-methyl-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

203.09464 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 143.4
[M+Na]+ 226.08386 153.4
[M-H]- 202.08736 146.1
[M+NH4]+ 221.12846 163.9
[M+K]+ 242.05780 149.8
[M+H-H2O]+ 186.09190 137.4
[M+HCOO]- 248.09284 165.9
[M+CH3COO]- 262.10849 183.2
[M+Na-2H]- 224.06931 148.6
[M]+ 203.09409 146.3
[M]- 203.09519 146.3
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