CID 135705490

1-((butanoyloxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride

Structural Information

Molecular Formula
C10H16N3O3
SMILES
CCCC(=O)OCN1C=C[N+](=C1/C=N/O)C
InChI
InChI=1S/C10H15N3O3/c1-3-4-10(14)16-8-13-6-5-12(2)9(13)7-11-15/h5-7H,3-4,8H2,1-2H3/p+1
InChIKey
HSJSYCJOADAVMO-UHFFFAOYSA-O
Compound name
[2-[(E)-hydroxyiminomethyl]-3-methylimidazol-3-ium-1-yl]methyl butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.11917 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12645 149.3
[M+Na]+ 249.10839 160.4
[M+NH4]+ 244.15299 155.5
[M+K]+ 265.08233 158.5
[M-H]- 225.11189 149.8
[M+Na-2H]- 247.09384 153.3
[M]+ 226.11862 150.9
[M]- 226.11972 150.9
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.