CID 57508391

Acetamidoethoxybutyl trimonium chloride

Structural Information

Molecular Formula
C11H25N2O2
SMILES
CC(=O)NCCOCCCC[N+](C)(C)C
InChI
InChI=1S/C11H24N2O2/c1-11(14)12-7-10-15-9-6-5-8-13(2,3)4/h5-10H2,1-4H3/p+1
InChIKey
UYEVXULQDBFVQB-UHFFFAOYSA-O
Compound name
4-(2-acetamidoethoxy)butyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

217.1916 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.19888 151.2
[M+Na]+ 240.18082 155.6
[M-H]- 216.18432 152.5
[M+NH4]+ 235.22542 170.1
[M+K]+ 256.15476 150.4
[M+H-H2O]+ 200.18886 148.3
[M+HCOO]- 262.18980 174.6
[M+CH3COO]- 276.20545 191.2
[M+Na-2H]- 238.16627 158.6
[M]+ 217.19105 153.8
[M]- 217.19215 153.8
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.