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

177
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

No literature data available for this compound.

Patent stripe

patents stripe