CID 11138194

71056-61-6

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

218
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.