CID 9578344

1-phenacyloxime-4-methylpyridine chloride

Structural Information

Molecular Formula
C14H15N2O
SMILES
CC1=CC=[N+](C=C1)C/C(=N/O)/C2=CC=CC=C2
InChI
InChI=1S/C14H14N2O/c1-12-7-9-16(10-8-12)11-14(15-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3/p+1/b15-14-
InChIKey
AKUFXYOZHIKMMN-PFONDFGASA-O
Compound name
(NE)-N-[2-(4-methylpyridin-1-ium-1-yl)-1-phenylethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.11844 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12572 149.9
[M+Na]+ 250.10766 166.1
[M+NH4]+ 245.15226 159.5
[M+K]+ 266.08160 159.0
[M-H]- 226.11116 156.3
[M+Na-2H]- 248.09311 160.9
[M]+ 227.11789 154.4
[M]- 227.11899 154.4
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.