CID 135705418

1h-imidazolium, 1-((1-cyclohexylethoxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, 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]+ 267.194136 164.9
[M+Na]+ 289.176078 169.0
[M-H]- 265.179584 168.3
[M+NH4]+ 284.220683 179.7
[M+K]+ 305.150018 161.2
[M+H-H2O]+ 249.184120 158.7
[M+HCOO]- 311.185061 183.5
[M+CH3COO]- 325.200711 191.9
[M+Na-2H]- 287.161526 167.9
[M]+ 266.18631142 161.6
[M]- 266.18740858 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.