CID 135705520

1-((allyloxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride

Structural Information

Molecular Formula
C9H14N3O2
SMILES
C[N+]1=C(N(C=C1)COCC=C)/C=N/O
InChI
InChI=1S/C9H13N3O2/c1-3-6-14-8-12-5-4-11(2)9(12)7-10-13/h3-5,7H,1,6,8H2,2H3/p+1
InChIKey
KKEPOKTYQBCZRG-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-methyl-3-(prop-2-enoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

196.1086 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11588 141.6
[M+Na]+ 219.09782 153.7
[M+NH4]+ 214.14242 148.7
[M+K]+ 235.07176 150.7
[M-H]- 195.10132 142.9
[M+Na-2H]- 217.08327 146.6
[M]+ 196.10805 143.6
[M]- 196.10915 143.6
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.