CID 280312

Ethyl 5-nitroindole-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)10-6-7-5-8(13(15)16)3-4-9(7)12-10/h3-6,12H,2H2,1H3
InChIKey
DVFJMQCNICEPAI-UHFFFAOYSA-N
Compound name
ethyl 5-nitro-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

676
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

literature stripe

Patent stripe

patents stripe