CID 19820

(4-acetoxybut-2-ynyl)trimethylammonium iodide

Structural Information

Molecular Formula
C9H16NO2
SMILES
CC(=O)OCC#CC[N+](C)(C)C
InChI
InChI=1S/C9H16NO2/c1-9(11)12-8-6-5-7-10(2,3)4/h7-8H2,1-4H3/q+1
InChIKey
UWAKJKBHXDYDNN-UHFFFAOYSA-N
Compound name
4-acetyloxybut-2-ynyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.1181 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.12538 135.9
[M+Na]+ 193.10732 147.0
[M+NH4]+ 188.15192 140.7
[M+K]+ 209.08126 139.9
[M-H]- 169.11082 129.1
[M+Na-2H]- 191.09277 137.8
[M]+ 170.11755 135.0
[M]- 170.11865 135.0
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

No patent data available for this compound.