CID 135705506

2-((hydroxyimino)methyl)-3-methyl-1-((1'-pentyn-5'-yloxy)methyl)imidazolium chloride

Structural Information

Molecular Formula
C11H16N3O2
SMILES
C[N+]1=C(N(C=C1)COCCCC#C)/C=N/O
InChI
InChI=1S/C11H15N3O2/c1-3-4-5-8-16-10-14-7-6-13(2)11(14)9-12-15/h1,6-7,9H,4-5,8,10H2,2H3/p+1
InChIKey
RCKLABVCEJYKNZ-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-methyl-3-(pent-4-ynoxymethyl)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

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13153 148.3
[M+Na]+ 245.11347 157.6
[M-H]- 221.11697 147.6
[M+NH4]+ 240.15807 163.2
[M+K]+ 261.08741 149.7
[M+H-H2O]+ 205.12151 136.5
[M+HCOO]- 267.12245 165.6
[M+CH3COO]- 281.13810 191.7
[M+Na-2H]- 243.09892 153.4
[M]+ 222.12370 144.7
[M]- 222.12480 144.7
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.