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 144.4
[M+Na]+ 241.05836 153.0
[M-H]- 217.06186 147.2
[M+NH4]+ 236.10296 163.0
[M+K]+ 257.03230 145.5
[M+H-H2O]+ 201.06640 142.8
[M+HCOO]- 263.06734 168.1
[M+CH3COO]- 277.08299 179.8
[M+Na-2H]- 239.04381 151.6
[M]+ 218.06859 144.2
[M]- 218.06969 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.