CID 135705452

1-((1'-hexen-3'-yloxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride

Structural Information

Molecular Formula
C12H20N3O2
SMILES
CCCC(C=C)OCN1C=C[N+](=C1/C=N/O)C
InChI
InChI=1S/C12H19N3O2/c1-4-6-11(5-2)17-10-15-8-7-14(3)12(15)9-13-16/h5,7-9,11H,2,4,6,10H2,1,3H3/p+1
InChIKey
ACQLIUULVWVTAM-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(hex-1-en-3-yloxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.15555 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.16283 156.3
[M+Na]+ 261.14477 163.5
[M-H]- 237.14827 157.5
[M+NH4]+ 256.18937 172.9
[M+K]+ 277.11871 155.7
[M+H-H2O]+ 221.15281 151.2
[M+HCOO]- 283.15375 178.6
[M+CH3COO]- 297.16940 188.3
[M+Na-2H]- 259.13022 161.0
[M]+ 238.15500 158.3
[M]- 238.15610 158.3
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.