CID 6435524

Ammonium, (2-((3-oxo-1-butenyl)oxy)ethyl)trimethyl-, 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]+ 173.141036 136.7
[M+Na]+ 195.122978 143.2
[M-H]- 171.126484 138.6
[M+NH4]+ 190.167583 157.7
[M+K]+ 211.096918 138.0
[M+H-H2O]+ 155.131020 134.9
[M+HCOO]- 217.131961 160.1
[M+CH3COO]- 231.147611 179.3
[M+Na-2H]- 193.108426 145.0
[M]+ 172.13321142 138.8
[M]- 172.13430858 138.8
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.