CID 1476606

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

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CCOC(=O)C1=C(NC2=CC=CC=C21)N
InChI
InChI=1S/C11H12N2O2/c1-2-15-11(14)9-7-5-3-4-6-8(7)13-10(9)12/h3-6,13H,2,12H2,1H3
InChIKey
KXEKODJGRSIGAU-UHFFFAOYSA-N
Compound name
ethyl 2-amino-1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
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 142.9
[M+Na]+ 227.07909 152.3
[M-H]- 203.08259 145.2
[M+NH4]+ 222.12369 162.7
[M+K]+ 243.05303 148.7
[M+H-H2O]+ 187.08713 136.6
[M+HCOO]- 249.08807 166.1
[M+CH3COO]- 263.10372 184.5
[M+Na-2H]- 225.06454 148.0
[M]+ 204.08932 143.7
[M]- 204.09042 143.7
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