CID 135921893

1-benzyl-4-formylpyridinium chloride oxime

Structural Information

Molecular Formula
C13H13N2O
SMILES
C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C13H12N2O/c16-14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h1-10H,11H2/p+1
InChIKey
IKOSIHNIYGTSRI-UHFFFAOYSA-O
Compound name
(NE)-N-[(1-benzylpyridin-1-ium-4-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.10278 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.11006 145.4
[M+Na]+ 236.09200 162.2
[M+NH4]+ 231.13660 155.3
[M+K]+ 252.06594 154.5
[M-H]- 212.09550 152.1
[M+Na-2H]- 234.07745 157.0
[M]+ 213.10223 150.1
[M]- 213.10333 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.