CID 135705422

1-((cyclohexyloxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride

Structural Information

Molecular Formula
C12H20N3O2
SMILES
C[N+]1=C(N(C=C1)COC2CCCCC2)/C=N/O
InChI
InChI=1S/C12H19N3O2/c1-14-7-8-15(12(14)9-13-16)10-17-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3/p+1
InChIKey
KBVAQVFKLSOLAQ-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(cyclohexyloxymethyl)-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

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.16283 155.6
[M+Na]+ 261.14477 160.8
[M-H]- 237.14827 159.2
[M+NH4]+ 256.18937 171.6
[M+K]+ 277.11871 153.0
[M+H-H2O]+ 221.15281 149.5
[M+HCOO]- 283.15375 175.8
[M+CH3COO]- 297.16940 185.2
[M+Na-2H]- 259.13022 160.8
[M]+ 238.15500 152.2
[M]- 238.15610 152.2
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.