CID 72941719

Ac quaternized acetamide

Structural Information

Molecular Formula
C10H23N2O3
SMILES
CC(=O)NCCOCC(C[N+](C)(C)C)O
InChI
InChI=1S/C10H22N2O3/c1-9(13)11-5-6-15-8-10(14)7-12(2,3)4/h10,14H,5-8H2,1-4H3/p+1
InChIKey
ATNGVLBPMOJLIB-UHFFFAOYSA-O
Compound name
[3-(2-acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

219.17087 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.17815 149.5
[M+Na]+ 242.16009 157.7
[M+NH4]+ 237.20469 156.1
[M+K]+ 258.13403 155.3
[M-H]- 218.16359 149.5
[M+Na-2H]- 240.14554 151.9
[M]+ 219.17032 150.6
[M]- 219.17142 150.6
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.