CID 3046547

Brn 1469401

Structural Information

Molecular Formula
C15H15NO2
SMILES
CC(=O)CC(=O)C1=C(NC2=CC=CC=C21)C3CC3
InChI
InChI=1S/C15H15NO2/c1-9(17)8-13(18)14-11-4-2-3-5-12(11)16-15(14)10-6-7-10/h2-5,10,16H,6-8H2,1H3
InChIKey
KSLHWPSKBKTFLO-UHFFFAOYSA-N
Compound name
1-(2-cyclopropyl-1H-indol-3-yl)butane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.11028 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 153.7
[M+Na]+ 264.09950 164.0
[M-H]- 240.10300 159.8
[M+NH4]+ 259.14410 167.3
[M+K]+ 280.07344 158.2
[M+H-H2O]+ 224.10754 147.1
[M+HCOO]- 286.10848 174.6
[M+CH3COO]- 300.12413 194.3
[M+Na-2H]- 262.08495 156.4
[M]+ 241.10973 157.3
[M]- 241.11083 157.3
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.