CID 3376839

1-(5-nitro-1h-indol-3-yl)propan-1-one

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CCC(=O)C1=CNC2=C1C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H10N2O3/c1-2-11(14)9-6-12-10-4-3-7(13(15)16)5-8(9)10/h3-6,12H,2H2,1H3
InChIKey
WDSXPRGHVIEVDF-UHFFFAOYSA-N
Compound name
1-(5-nitro-1H-indol-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06914 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 144.4
[M+Na]+ 241.058358 153.0
[M-H]- 217.061864 147.2
[M+NH4]+ 236.102963 163.0
[M+K]+ 257.032298 145.5
[M+H-H2O]+ 201.066400 142.8
[M+HCOO]- 263.067341 168.1
[M+CH3COO]- 277.082991 179.8
[M+Na-2H]- 239.043806 151.6
[M]+ 218.06859142 144.2
[M]- 218.06968858 144.2
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

No patent data available for this compound.