CID 135705418

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

Structural Information

Molecular Formula
C14H24N3O2
SMILES
CC(C1CCCCC1)OCN2C=C[N+](=C2/C=N/O)C
InChI
InChI=1S/C14H23N3O2/c1-12(13-6-4-3-5-7-13)19-11-17-9-8-16(2)14(17)10-15-18/h8-10,12-13H,3-7,11H2,1-2H3/p+1
InChIKey
ABLWHXGNSHTMMJ-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(1-cyclohexylethoxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.18686 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.19414 164.9
[M+Na]+ 289.17608 169.0
[M-H]- 265.17958 168.3
[M+NH4]+ 284.22068 179.7
[M+K]+ 305.15002 161.2
[M+H-H2O]+ 249.18412 158.7
[M+HCOO]- 311.18506 183.5
[M+CH3COO]- 325.20071 191.9
[M+Na-2H]- 287.16153 167.9
[M]+ 266.18631 161.6
[M]- 266.18741 161.6
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.