CID 9578344

4-picolinium, 1-phenacyl-, chloride, oxime

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]+ 228.125716 152.8
[M+Na]+ 250.107658 159.3
[M-H]- 226.111164 158.3
[M+NH4]+ 245.152263 168.7
[M+K]+ 266.081598 150.1
[M+H-H2O]+ 210.115700 147.1
[M+HCOO]- 272.116641 176.0
[M+CH3COO]- 286.132291 185.1
[M+Na-2H]- 248.093106 161.6
[M]+ 227.11789142 150.8
[M]- 227.11898858 150.8
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.