CID 6435524

(2-((3-oxo-1-butenyl)oxy)ethyl)trimethylammonium iodide

Structural Information

Molecular Formula
C9H18NO2
SMILES
CC(=O)/C=C/OCC[N+](C)(C)C
InChI
InChI=1S/C9H18NO2/c1-9(11)5-7-12-8-6-10(2,3)4/h5,7H,6,8H2,1-4H3/q+1/b7-5+
InChIKey
WJENCNNQZDAVEZ-FNORWQNLSA-N
Compound name
trimethyl-[2-[(E)-3-oxobut-1-enoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.13376 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.14104 137.7
[M+Na]+ 195.12298 148.8
[M+NH4]+ 190.16758 145.9
[M+K]+ 211.09692 144.4
[M-H]- 171.12648 138.6
[M+Na-2H]- 193.10843 142.1
[M]+ 172.13321 139.7
[M]- 172.13431 139.7
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.