CID 135705426

1-(((1'-cyclopentyl-1'-butyl)oxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride

Structural Information

Molecular Formula
C15H26N3O2
SMILES
CCCC(C1CCCC1)OCN2C=C[N+](=C2/C=N/O)C
InChI
InChI=1S/C15H25N3O2/c1-3-6-14(13-7-4-5-8-13)20-12-18-10-9-17(2)15(18)11-16-19/h9-11,13-14H,3-8,12H2,1-2H3/p+1
InChIKey
QUBRPYRDLRJWBB-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(1-cyclopentylbutoxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.2025 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.20978 169.9
[M+Na]+ 303.19172 174.3
[M-H]- 279.19522 173.7
[M+NH4]+ 298.23632 186.0
[M+K]+ 319.16566 166.6
[M+H-H2O]+ 263.19976 163.9
[M+HCOO]- 325.20070 190.2
[M+CH3COO]- 339.21635 194.9
[M+Na-2H]- 301.17717 171.0
[M]+ 280.20195 169.1
[M]- 280.20305 169.1
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.