CID 99880

1-indanone, 2-(3-pyridylmethylene)-

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]+ 222.091336 148.3
[M+Na]+ 244.073278 157.4
[M-H]- 220.076784 154.8
[M+NH4]+ 239.117883 168.0
[M+K]+ 260.047218 152.0
[M+H-H2O]+ 204.081320 140.7
[M+HCOO]- 266.082261 170.9
[M+CH3COO]- 280.097911 161.5
[M+Na-2H]- 242.058726 153.7
[M]+ 221.08351142 147.0
[M]- 221.08460858 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.