CID 135705446

1-((2,2-dimethylpropoxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-1h-imidazolium chloride

Structural Information

Molecular Formula
C11H20N3O2
SMILES
CC(C)(C)COCN1C=C[N+](=C1/C=N/O)C
InChI
InChI=1S/C11H19N3O2/c1-11(2,3)8-16-9-14-6-5-13(4)10(14)7-12-15/h5-7H,8-9H2,1-4H3/p+1
InChIKey
FYHHSIMJULJXFS-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(2,2-dimethylpropoxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
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 153.0
[M+Na]+ 249.14477 161.1
[M-H]- 225.14827 154.7
[M+NH4]+ 244.18937 170.5
[M+K]+ 265.11871 154.1
[M+H-H2O]+ 209.15281 148.8
[M+HCOO]- 271.15375 174.9
[M+CH3COO]- 285.16940 185.1
[M+Na-2H]- 247.13022 160.5
[M]+ 226.15500 155.4
[M]- 226.15610 155.4
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.