CID 250407

6960-46-9

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

171
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 146.9
[M+Na]+ 257.05328 159.5
[M+NH4]+ 252.09788 153.9
[M+K]+ 273.02722 158.8
[M-H]- 233.05678 148.4
[M+Na-2H]- 255.03873 151.6
[M]+ 234.06351 148.8
[M]- 234.06461 148.8
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