CID 6913709

Choline, iodide, maleate (2:1)

Structural Information

Molecular Formula
C14H28N2O4
SMILES
C[N+](C)(C)CCOC(=O)/C=C\C(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C14H28N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-8H,9-12H2,1-6H3/q+2/b8-7-
InChIKey
OQLMEQUXMZVUOM-FPLPWBNLSA-N
Compound name
trimethyl-[2-[(Z)-4-oxo-4-[2-(trimethylazaniumyl)ethoxy]but-2-enoyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

288.2049 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21218 189.5
[M+Na]+ 311.19412 196.5
[M+NH4]+ 306.23872 197.9
[M+K]+ 327.16806 203.3
[M-H]- 287.19762 184.5
[M+Na-2H]- 309.17957 184.9
[M]+ 288.20435 191.2
[M]- 288.20545 191.2
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

patents stripe