CID 280312

Ethyl 5-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)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

734
Patents

234.06406 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.071336 147.6
[M+Na]+ 257.053278 156.0
[M-H]- 233.056784 150.3
[M+NH4]+ 252.097883 165.5
[M+K]+ 273.027218 149.1
[M+H-H2O]+ 217.061320 145.8
[M+HCOO]- 279.062261 171.4
[M+CH3COO]- 293.077911 181.2
[M+Na-2H]- 255.038726 155.0
[M]+ 234.06351142 148.6
[M]- 234.06460858 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

literature stripe

Patent stripe

patents stripe