CID 416923

Diethyl(2-hydroxyethyl)methylammonium iodide acetate

Structural Information

Molecular Formula
C9H20NO2
SMILES
CC[N+](C)(CC)CCOC(=O)C
InChI
InChI=1S/C9H20NO2/c1-5-10(4,6-2)7-8-12-9(3)11/h5-8H2,1-4H3/q+1
InChIKey
RXNRTQDDFAZYGG-UHFFFAOYSA-N
Compound name
2-acetyloxyethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

174.1494 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.15668 138.4
[M+Na]+ 197.13862 149.5
[M+NH4]+ 192.18322 146.9
[M+K]+ 213.11256 145.2
[M-H]- 173.14212 139.6
[M+Na-2H]- 195.12407 142.9
[M]+ 174.14885 140.6
[M]- 174.14995 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe