CID 135705444

1-(((4,4-dimethyl-3-pentyl)oxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride

Structural Information

Molecular Formula
C13H24N3O2
SMILES
CCC(C(C)(C)C)OCN1C=C[N+](=C1/C=N/O)C
InChI
InChI=1S/C13H23N3O2/c1-6-11(13(2,3)4)18-10-16-8-7-15(5)12(16)9-14-17/h7-9,11H,6,10H2,1-5H3/p+1
InChIKey
LZTBEXKKRYCYCO-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(2,2-dimethylpentan-3-yloxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.18686 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.19414 159.2
[M+Na]+ 277.17608 169.8
[M+NH4]+ 272.22068 165.7
[M+K]+ 293.15002 168.1
[M-H]- 253.17958 159.8
[M+Na-2H]- 275.16153 163.1
[M]+ 254.18631 160.9
[M]- 254.18741 160.9
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.