CID 135412838

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

Structural Information

Molecular Formula
C13H15N3O2
SMILES
C1=CC=[N+](C=C1)COC[N+]2=CC=CC=C2/C=N/O
InChI
InChI=1S/C13H14N3O2/c17-14-10-13-6-2-5-9-16(13)12-18-11-15-7-3-1-4-8-15/h1-10H,11-12H2/q+1/p+1
InChIKey
GUFPJKPOPYWLSP-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(pyridin-1-ium-1-ylmethoxymethyl)pyridin-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.123696 157.7
[M+Na]+ 268.105638 164.4
[M-H]- 244.109144 162.0
[M+NH4]+ 263.150243 170.9
[M+K]+ 284.079578 149.9
[M+H-H2O]+ 228.113680 153.5
[M+HCOO]- 290.114621 180.3
[M+CH3COO]- 304.130271 180.4
[M+Na-2H]- 266.091086 170.4
[M]+ 245.11587142 156.5
[M]- 245.11696858 156.5
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.