CID 250407

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

Structural Information

Molecular Formula
C11H10N2O4
SMILES
CCOC(=O)C1=CC2=C(N1)C(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H10N2O4/c1-2-17-11(14)8-6-7-4-3-5-9(13(15)16)10(7)12-8/h3-6,12H,2H2,1H3
InChIKey
GTZAIVBXGPLYGD-UHFFFAOYSA-N
Compound name
ethyl 7-nitro-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

234.06406 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 147.6
[M+Na]+ 257.05328 156.0
[M-H]- 233.05678 150.3
[M+NH4]+ 252.09788 165.5
[M+K]+ 273.02722 149.1
[M+H-H2O]+ 217.06132 145.8
[M+HCOO]- 279.06226 171.4
[M+CH3COO]- 293.07791 181.2
[M+Na-2H]- 255.03873 155.0
[M]+ 234.06351 148.6
[M]- 234.06461 148.6
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