CID 135705448

1-(((1,1-dimethyl-2-propynyl)oxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium cl

Structural Information

Molecular Formula
C11H16N3O2
SMILES
CC(C)(C#C)OCN1C=C[N+](=C1/C=N/O)C
InChI
InChI=1S/C11H15N3O2/c1-5-11(2,3)16-9-14-7-6-13(4)10(14)8-12-15/h1,6-8H,9H2,2-4H3/p+1
InChIKey
JTRIDGAEQWBPFN-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-methyl-3-(2-methylbut-3-yn-2-yloxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

222.12425 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13153 152.1
[M+Na]+ 245.11347 161.6
[M-H]- 221.11697 151.8
[M+NH4]+ 240.15807 167.1
[M+K]+ 261.08741 154.3
[M+H-H2O]+ 205.12151 141.0
[M+HCOO]- 267.12245 167.9
[M+CH3COO]- 281.13810 191.9
[M+Na-2H]- 243.09892 157.8
[M]+ 222.12370 147.9
[M]- 222.12480 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.