CID 43162136

3-cyclopropanecarbonyl-5-nitro-1h-indole

Structural Information

Molecular Formula
C12H10N2O3
SMILES
C1CC1C(=O)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O3/c15-12(7-1-2-7)10-6-13-11-4-3-8(14(16)17)5-9(10)11/h3-7,13H,1-2H2
InChIKey
XUWVQZIMPRHPLD-UHFFFAOYSA-N
Compound name
cyclopropyl-(5-nitro-1H-indol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.06914 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.076416 142.5
[M+Na]+ 253.058358 152.4
[M-H]- 229.061864 148.9
[M+NH4]+ 248.102963 155.7
[M+K]+ 269.032298 143.2
[M+H-H2O]+ 213.066400 140.7
[M+HCOO]- 275.067341 166.1
[M+CH3COO]- 289.082991 184.8
[M+Na-2H]- 251.043806 149.9
[M]+ 230.06859142 143.6
[M]- 230.06968858 143.6
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

No patent data available for this compound.