CID 80661

(2-ethoxyethyl)trimethylammonium chloride

Structural Information

Molecular Formula
C7H18NO
SMILES
CCOCC[N+](C)(C)C
InChI
InChI=1S/C7H18NO/c1-5-9-7-6-8(2,3)4/h5-7H2,1-4H3/q+1
InChIKey
PLLVTSBBBKLRSO-UHFFFAOYSA-N
Compound name
2-ethoxyethyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

51
References

262
Patents

132.13884 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.146116 126.9
[M+Na]+ 155.128058 133.9
[M-H]- 131.131564 129.1
[M+NH4]+ 150.172663 149.8
[M+K]+ 171.101998 129.6
[M+H-H2O]+ 115.136100 125.5
[M+HCOO]- 177.137041 151.3
[M+CH3COO]- 191.152691 173.6
[M+Na-2H]- 153.113506 137.4
[M]+ 132.13829142 129.0
[M]- 132.13938858 129.0
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