CID 11138194

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

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CCOC(=O)C1=CC2=C(N1)C(=CC=C2)N
InChI
InChI=1S/C11H12N2O2/c1-2-15-11(14)9-6-7-4-3-5-8(12)10(7)13-9/h3-6,13H,2,12H2,1H3
InChIKey
CNBYMDSUCXNDIT-UHFFFAOYSA-N
Compound name
ethyl 7-amino-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

204.08987 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 143.1
[M+Na]+ 227.07909 154.7
[M+NH4]+ 222.12369 150.7
[M+K]+ 243.05303 151.1
[M-H]- 203.08259 144.2
[M+Na-2H]- 225.06454 148.1
[M]+ 204.08932 144.8
[M]- 204.09042 144.8
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