CID 36566

1-acetyl-5-nitroindoline

Structural Information

Molecular Formula
C10H10N2O3
SMILES
CC(=O)N1CCC2=C1C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O3/c1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11/h2-3,6H,4-5H2,1H3
InChIKey
OJKKTNFCWMBYMT-UHFFFAOYSA-N
Compound name
1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

92
Patents

206.06914 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 142.3
[M+Na]+ 229.05836 149.9
[M-H]- 205.06186 145.9
[M+NH4]+ 224.10296 162.0
[M+K]+ 245.03230 144.0
[M+H-H2O]+ 189.06640 140.8
[M+HCOO]- 251.06734 165.0
[M+CH3COO]- 265.08299 179.4
[M+Na-2H]- 227.04381 148.6
[M]+ 206.06859 140.6
[M]- 206.06969 140.6
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