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]+ 231.07642 142.5
[M+Na]+ 253.05836 152.4
[M-H]- 229.06186 148.9
[M+NH4]+ 248.10296 155.7
[M+K]+ 269.03230 143.2
[M+H-H2O]+ 213.06640 140.7
[M+HCOO]- 275.06734 166.1
[M+CH3COO]- 289.08299 184.8
[M+Na-2H]- 251.04381 149.9
[M]+ 230.06859 143.6
[M]- 230.06969 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.