CID 99880

2-(3-picolylidene)-1-indanone

Structural Information

Molecular Formula
C15H11NO
SMILES
C1C2=CC=CC=C2C(=O)C1=CC3=CN=CC=C3
InChI
InChI=1S/C15H11NO/c17-15-13(8-11-4-3-7-16-10-11)9-12-5-1-2-6-14(12)15/h1-8,10H,9H2
InChIKey
UCAONOPVOXJPQZ-UHFFFAOYSA-N
Compound name
2-(pyridin-3-ylmethylidene)-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08406 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09134 149.5
[M+Na]+ 244.07328 164.5
[M+NH4]+ 239.11788 159.1
[M+K]+ 260.04722 157.5
[M-H]- 220.07678 153.9
[M+Na-2H]- 242.05873 158.0
[M]+ 221.08351 152.9
[M]- 221.08461 152.9
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.