CID 135705498

2-((hydroxyimino)methyl)-3-methyl-1-((4'-pentyn-2'-yloxy)methyl)imidazolium chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.12425 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13153 149.5
[M+Na]+ 245.11347 158.5
[M-H]- 221.11697 148.9
[M+NH4]+ 240.15807 164.3
[M+K]+ 261.08741 151.1
[M+H-H2O]+ 205.12151 137.8
[M+HCOO]- 267.12245 165.9
[M+CH3COO]- 281.13810 192.4
[M+Na-2H]- 243.09892 153.4
[M]+ 222.12370 145.2
[M]- 222.12480 145.2
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.