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 148.3
[M+Na]+ 244.07328 157.4
[M-H]- 220.07678 154.8
[M+NH4]+ 239.11788 168.0
[M+K]+ 260.04722 152.0
[M+H-H2O]+ 204.08132 140.7
[M+HCOO]- 266.08226 170.9
[M+CH3COO]- 280.09791 161.5
[M+Na-2H]- 242.05873 153.7
[M]+ 221.08351 147.0
[M]- 221.08461 147.0
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.