CID 135705488

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

Structural Information

Molecular Formula
C14H26N3O2
SMILES
CCCCCCCCOCN1C=C[N+](=C1/C=N/O)C
InChI
InChI=1S/C14H25N3O2/c1-3-4-5-6-7-8-11-19-13-17-10-9-16(2)14(17)12-15-18/h9-10,12H,3-8,11,13H2,1-2H3/p+1
InChIKey
VPOGYXOJCCWVRS-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-methyl-3-(octoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

268.2025 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20978 164.5
[M+Na]+ 291.19172 175.6
[M+NH4]+ 286.23632 171.1
[M+K]+ 307.16566 171.5
[M-H]- 267.19522 165.9
[M+Na-2H]- 289.17717 168.4
[M]+ 268.20195 166.5
[M]- 268.20305 166.5
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.