CID 135534298

4-(cyano(hydroxyimino)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 135.9
[M+Na]+ 185.05596 145.3
[M-H]- 161.05946 138.0
[M+NH4]+ 180.10056 152.6
[M+K]+ 201.02990 138.3
[M+H-H2O]+ 145.06400 125.1
[M+HCOO]- 207.06494 155.7
[M+CH3COO]- 221.08059 185.6
[M+Na-2H]- 183.04141 144.1
[M]+ 162.06619 129.1
[M]- 162.06729 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.