CID 135705470

2-((hydroxyimino)methyl)-3-methyl-1-(((3-methylbutyl)oxy)methyl)-1h-imidazolium chloride

Structural Information

Molecular Formula
C11H20N3O2
SMILES
CC(C)CCOCN1C=C[N+](=C1/C=N/O)C
InChI
InChI=1S/C11H19N3O2/c1-10(2)4-7-16-9-14-6-5-13(3)11(14)8-12-15/h5-6,8,10H,4,7,9H2,1-3H3/p+1
InChIKey
OYNFMXVIEMRKDE-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-methyl-3-(3-methylbutoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.15555 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.16283 152.8
[M+Na]+ 249.14477 160.1
[M-H]- 225.14827 154.1
[M+NH4]+ 244.18937 170.0
[M+K]+ 265.11871 153.1
[M+H-H2O]+ 209.15281 147.8
[M+HCOO]- 271.15375 175.2
[M+CH3COO]- 285.16940 186.3
[M+Na-2H]- 247.13022 158.0
[M]+ 226.15500 155.1
[M]- 226.15610 155.1
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.