CID 135891256

Pyridinium, 2-formyl-4'-methyl-1,1'-(oxydimethylene)di-, dichloride, oxime

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CC1=CC=[N+](C=C1)COC[N+]2=CC=CC=C2/C=N/O
InChI
InChI=1S/C14H16N3O2/c1-13-5-8-16(9-6-13)11-19-12-17-7-3-2-4-14(17)10-15-18/h2-10H,11-12H2,1H3/q+1/p+1
InChIKey
YMPJXGLOYLJYKS-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-[(4-methylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 162.4
[M+Na]+ 282.12130 169.6
[M-H]- 258.12480 167.0
[M+NH4]+ 277.16590 175.4
[M+K]+ 298.09524 154.9
[M+H-H2O]+ 242.12934 158.3
[M+HCOO]- 304.13028 184.6
[M+CH3COO]- 318.14593 184.4
[M+Na-2H]- 280.10675 174.0
[M]+ 259.13153 161.9
[M]- 259.13263 161.9
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.