CID 135705472

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

Structural Information

Molecular Formula
C9H16N3O2
SMILES
CC(C)OCN1C=C[N+](=C1/C=N/O)C
InChI
InChI=1S/C9H15N3O2/c1-8(2)14-7-12-5-4-11(3)9(12)6-10-13/h4-6,8H,7H2,1-3H3/p+1
InChIKey
XONOKWHTYHOQMP-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-methyl-3-(propan-2-yloxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

198.12425 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13153 143.4
[M+Na]+ 221.11347 151.6
[M-H]- 197.11697 145.1
[M+NH4]+ 216.15807 161.7
[M+K]+ 237.08741 145.1
[M+H-H2O]+ 181.12151 138.9
[M+HCOO]- 243.12245 166.5
[M+CH3COO]- 257.13810 180.2
[M+Na-2H]- 219.09892 149.7
[M]+ 198.12370 145.0
[M]- 198.12480 145.0
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.