CID 135705412

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

Structural Information

Molecular Formula
C10H16N3O2
SMILES
C[N+]1=C(N(C=C1)COC2CCC2)/C=N/O
InChI
InChI=1S/C10H15N3O2/c1-12-5-6-13(10(12)7-11-14)8-15-9-3-2-4-9/h5-7,9H,2-4,8H2,1H3/p+1
InChIKey
VWWYXGQNFXTKKO-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(cyclobutyloxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.12425 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13153 142.6
[M+Na]+ 233.11347 148.3
[M-H]- 209.11697 146.8
[M+NH4]+ 228.15807 153.5
[M+K]+ 249.08741 144.4
[M+H-H2O]+ 193.12151 132.0
[M+HCOO]- 255.12245 164.3
[M+CH3COO]- 269.13810 184.1
[M+Na-2H]- 231.09892 148.9
[M]+ 210.12370 150.8
[M]- 210.12480 150.8
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.