CID 135705474

2-((hydroxyimino)methyl)-1-methyl-3-((2-methyl-1-oxobutoxy)methyl)-1h-imidazolium chloride

Structural Information

Molecular Formula
C11H18N3O3
SMILES
CCC(C)C(=O)OCN1C=C[N+](=C1/C=N/O)C
InChI
InChI=1S/C11H17N3O3/c1-4-9(2)11(15)17-8-14-6-5-13(3)10(14)7-12-16/h5-7,9H,4,8H2,1-3H3/p+1
InChIKey
CIXRCKUDNVQKFX-UHFFFAOYSA-O
Compound name
[2-[(E)-hydroxyiminomethyl]-3-methylimidazol-3-ium-1-yl]methyl 2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.13481 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.14209 154.7
[M+Na]+ 263.12403 162.0
[M-H]- 239.12753 156.3
[M+NH4]+ 258.16863 171.2
[M+K]+ 279.09797 155.5
[M+H-H2O]+ 223.13207 149.9
[M+HCOO]- 285.13301 176.6
[M+CH3COO]- 299.14866 187.4
[M+Na-2H]- 261.10948 158.9
[M]+ 240.13426 157.0
[M]- 240.13536 157.0
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.