CID 135534298

4-[cyano(hydroxyamino)methyl]-1-methylpyridinium iodide

Structural Information

Molecular Formula
C8H8N3O
SMILES
C[N+]1=CC=C(C=C1)/C(=N/O)/C#N
InChI
InChI=1S/C8H7N3O/c1-11-4-2-7(3-5-11)8(6-9)10-12/h2-5H,1H3/p+1
InChIKey
GQHODOZUVIFGSI-UHFFFAOYSA-O
Compound name
(2Z)-2-hydroxyimino-2-(1-methylpyridin-1-ium-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

162.06674 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07402 134.4
[M+Na]+ 185.05596 147.7
[M+NH4]+ 180.10056 139.7
[M+K]+ 201.02990 139.6
[M-H]- 161.05946 130.4
[M+Na-2H]- 183.04141 139.5
[M]+ 162.06619 134.5
[M]- 162.06729 134.5
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.