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

21
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 163.3
[M+Na]+ 311.19412 167.7
[M-H]- 287.19762 200.0
[M+NH4]+ 306.23872 203.4
[M+K]+ 327.16806 157.7
[M+H-H2O]+ 271.20216 163.4
[M+HCOO]- 333.20310 218.8
[M+CH3COO]- 347.21875 197.7
[M+Na-2H]- 309.17957 172.9
[M]+ 288.20435 167.0
[M]- 288.20545 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

patents stripe