CID 6328156

Ammonium, ((dimethylethanediylidene)bis(nitrilooxyethylene))bis(trimethyl-, diiodide

Structural Information

Molecular Formula
C14H32N4O2
SMILES
C/C(=N\OCC[N+](C)(C)C)/C(=N/OCC[N+](C)(C)C)/C
InChI
InChI=1S/C14H32N4O2/c1-13(15-19-11-9-17(3,4)5)14(2)16-20-12-10-18(6,7)8/h9-12H2,1-8H3/q+2/b15-13+,16-14+
InChIKey
MGNLNWDMOCMKCE-WXUKJITCSA-N
Compound name
trimethyl-[2-[(E)-[(3E)-3-[2-(trimethylazaniumyl)ethoxyimino]butan-2-ylidene]amino]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

288.25253 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25981 163.0
[M+Na]+ 311.24175 166.2
[M-H]- 287.24525 168.5
[M+NH4]+ 306.28635 230.3
[M+K]+ 327.21569 157.8
[M+H-H2O]+ 271.24979 161.8
[M+HCOO]- 333.25073 243.3
[M+CH3COO]- 347.26638 210.8
[M+Na-2H]- 309.22720 173.9
[M]+ 288.25198 166.9
[M]- 288.25308 166.9
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.