CID 135705404

1-(butoxymethyl)-2-((hydroxyimino)methyl)-3-methyl-1h-imidazolium chloride

Structural Information

Molecular Formula
C10H18N3O2
SMILES
CCCCOCN1C=C[N+](=C1/C=N/O)C
InChI
InChI=1S/C10H17N3O2/c1-3-4-7-15-9-13-6-5-12(2)10(13)8-11-14/h5-6,8H,3-4,7,9H2,1-2H3/p+1
InChIKey
HXNYDAPJYULVFH-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(butoxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

212.13991 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14719 147.7
[M+Na]+ 235.12913 155.8
[M-H]- 211.13263 149.1
[M+NH4]+ 230.17373 165.6
[M+K]+ 251.10307 148.6
[M+H-H2O]+ 195.13717 142.9
[M+HCOO]- 257.13811 171.5
[M+CH3COO]- 271.15376 182.5
[M+Na-2H]- 233.11458 154.7
[M]+ 212.13936 150.4
[M]- 212.14046 150.4
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.