CID 135896182

1-phenacyl-4-hydroxyiminoformylpyridinium chloride

Structural Information

Molecular Formula
C14H13N2O2
SMILES
C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C14H12N2O2/c17-14(13-4-2-1-3-5-13)11-16-8-6-12(7-9-16)10-15-18/h1-10H,11H2/p+1
InChIKey
NURFZUZFYURQHB-UHFFFAOYSA-O
Compound name
2-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0977 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.10498 155.2
[M+Na]+ 264.08692 161.8
[M-H]- 240.09042 160.7
[M+NH4]+ 259.13152 170.2
[M+K]+ 280.06086 152.5
[M+H-H2O]+ 224.09496 149.2
[M+HCOO]- 286.09590 178.7
[M+CH3COO]- 300.11155 186.2
[M+Na-2H]- 262.07237 163.9
[M]+ 241.09715 153.8
[M]- 241.09825 153.8
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.