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 150.0
[M+Na]+ 249.10839 158.0
[M-H]- 225.11189 151.6
[M+NH4]+ 244.15299 167.1
[M+K]+ 265.08233 151.1
[M+H-H2O]+ 209.11643 145.2
[M+HCOO]- 271.11737 173.2
[M+CH3COO]- 285.13302 183.6
[M+Na-2H]- 247.09384 155.9
[M]+ 226.11862 152.6
[M]- 226.11972 152.6
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.