CID 135705450

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

Structural Information

Molecular Formula
C8H14N3O2
SMILES
CCOCN1C=C[N+](=C1/C=N/O)C
InChI
InChI=1S/C8H13N3O2/c1-3-13-7-11-5-4-10(2)8(11)6-9-12/h4-6H,3,7H2,1-2H3/p+1
InChIKey
UMLBRIIKPQMRIO-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(ethoxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.1086 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11588 138.4
[M+Na]+ 207.09782 147.3
[M-H]- 183.10132 140.2
[M+NH4]+ 202.14242 157.4
[M+K]+ 223.07176 140.7
[M+H-H2O]+ 167.10586 134.0
[M+HCOO]- 229.10680 162.9
[M+CH3COO]- 243.12245 176.5
[M+Na-2H]- 205.08327 146.4
[M]+ 184.10805 140.4
[M]- 184.10915 140.4
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.