CID 135534298

Pyridinium, 4-[cyano(hydroxyimino)methyl]-1-methyl-, iodide (1:1)

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]+ 163.074016 135.9
[M+Na]+ 185.055958 145.3
[M-H]- 161.059464 138.0
[M+NH4]+ 180.100563 152.6
[M+K]+ 201.029898 138.3
[M+H-H2O]+ 145.064000 125.1
[M+HCOO]- 207.064941 155.7
[M+CH3COO]- 221.080591 185.6
[M+Na-2H]- 183.041406 144.1
[M]+ 162.06619142 129.1
[M]- 162.06728858 129.1
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.