CID 10966428

107575-60-0

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CCOC(=O)C1=CC2=CC(=C(C=C2N1)N)OC
InChI
InChI=1S/C12H14N2O3/c1-3-17-12(15)10-4-7-5-11(16-2)8(13)6-9(7)14-10/h4-6,14H,3,13H2,1-2H3
InChIKey
DIEUGINJYISDCB-UHFFFAOYSA-N
Compound name
ethyl 6-amino-5-methoxy-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

278
Patents

234.10045 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 150.4
[M+Na]+ 257.08967 160.1
[M-H]- 233.09317 152.8
[M+NH4]+ 252.13427 169.1
[M+K]+ 273.06361 156.9
[M+H-H2O]+ 217.09771 144.0
[M+HCOO]- 279.09865 173.4
[M+CH3COO]- 293.11430 190.9
[M+Na-2H]- 255.07512 154.3
[M]+ 234.09990 153.3
[M]- 234.10100 153.3
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