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 136.7
[M+Na]+ 195.12298 143.2
[M-H]- 171.12648 138.6
[M+NH4]+ 190.16758 157.7
[M+K]+ 211.09692 138.0
[M+H-H2O]+ 155.13102 134.9
[M+HCOO]- 217.13196 160.1
[M+CH3COO]- 231.14761 179.3
[M+Na-2H]- 193.10843 145.0
[M]+ 172.13321 138.8
[M]- 172.13431 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.