CID 6041695

74251-92-6

Structural Information

Molecular Formula
C14H12NO
SMILES
C1=CC=C(C=C1)C(=O)/C=C/[N+]2=CC=CC=C2
InChI
InChI=1S/C14H12NO/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15/h1-12H/q+1/b12-9+
InChIKey
GSERAUBTJFYYQM-FMIVXFBMSA-N
Compound name
(E)-1-phenyl-3-pyridin-1-ium-1-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.09189 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09917 148.8
[M+Na]+ 233.08111 155.6
[M-H]- 209.08461 154.1
[M+NH4]+ 228.12571 165.3
[M+K]+ 249.05505 145.9
[M+H-H2O]+ 193.08915 143.4
[M+HCOO]- 255.09009 171.1
[M+CH3COO]- 269.10574 178.5
[M+Na-2H]- 231.06656 157.8
[M]+ 210.09134 146.4
[M]- 210.09244 146.4
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.