CID 9570305

(2-butenediylidenebis(nitrilooxyethylene))bis(trimethylammonium) diiodide

Structural Information

Molecular Formula
C14H30N4O2
SMILES
C[N+](CCO/N=C/C=C/C=N/OCC[N+](C)(C)C)(C)C
InChI
InChI=1S/C14H30N4O2/c1-17(2,3)11-13-19-15-9-7-8-10-16-20-14-12-18(4,5)6/h7-10H,11-14H2,1-6H3/q+2/b8-7+,15-9+,16-10+
InChIKey
KDOLCVUUEDKWIT-ZLNLVZGMSA-N
Compound name
trimethyl-[2-[(E)-[(E,4E)-4-[2-(trimethylazaniumyl)ethoxyimino]but-2-enylidene]amino]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.23688 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.24416 162.6
[M+Na]+ 309.22610 166.5
[M-H]- 285.22960 167.9
[M+NH4]+ 304.27070 229.5
[M+K]+ 325.20004 156.5
[M+H-H2O]+ 269.23414 161.1
[M+HCOO]- 331.23508 250.4
[M+CH3COO]- 345.25073 207.9
[M+Na-2H]- 307.21155 175.6
[M]+ 286.23633 167.0
[M]- 286.23743 167.0
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.