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]+ 219.07642 143.7
[M+Na]+ 241.05836 156.7
[M+NH4]+ 236.10296 151.2
[M+K]+ 257.03230 155.5
[M-H]- 217.06186 145.6
[M+Na-2H]- 239.04381 148.8
[M]+ 218.06859 145.8
[M]- 218.06969 145.8
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

No patent data available for this compound.