CID 135705468

2-((hydroxyimino)methyl)-3-methyl-1-(((3-methyl-3-butenyl)oxy)methyl)imidazolium chloride

Structural Information

Molecular Formula
C11H18N3O2
SMILES
CC(=C)CCOCN1C=C[N+](=C1/C=N/O)C
InChI
InChI=1S/C11H17N3O2/c1-10(2)4-7-16-9-14-6-5-13(3)11(14)8-12-15/h5-6,8H,1,4,7,9H2,2-3H3/p+1
InChIKey
AGVDOYWCKNTPHC-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-methyl-3-(3-methylbut-3-enoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

224.13991 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14719 151.6
[M+Na]+ 247.12913 159.3
[M-H]- 223.13263 153.0
[M+NH4]+ 242.17373 168.8
[M+K]+ 263.10307 151.7
[M+H-H2O]+ 207.13717 146.8
[M+HCOO]- 269.13811 174.3
[M+CH3COO]- 283.15376 185.3
[M+Na-2H]- 245.11458 156.9
[M]+ 224.13936 153.3
[M]- 224.14046 153.3
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.