CID 135705410

1h-imidazolium, 1-(((3-butyn-2-yl)oxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride

Structural Information

Molecular Formula
C10H14N3O2
SMILES
CC(C#C)OCN1C=C[N+](=C1/C=N/O)C
InChI
InChI=1S/C10H13N3O2/c1-4-9(2)15-8-13-6-5-12(3)10(13)7-11-14/h1,5-7,9H,8H2,2-3H3/p+1
InChIKey
XDTYPQHSQPGVQE-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(but-3-yn-2-yloxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.1086 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.115876 145.5
[M+Na]+ 231.097818 154.9
[M-H]- 207.101324 145.0
[M+NH4]+ 226.142423 160.8
[M+K]+ 247.071758 147.7
[M+H-H2O]+ 191.105860 134.0
[M+HCOO]- 253.106801 162.1
[M+CH3COO]- 267.122451 189.7
[M+Na-2H]- 229.083266 149.9
[M]+ 208.10805142 140.9
[M]- 208.10914858 140.9
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.