CID 32512

Diethyl(2-hydroxyethyl)methylammonium iodide 2,2-dimethylvalerate

Structural Information

Molecular Formula
C14H30NO2
SMILES
CCCC(C)(C)C(=O)OCC[N+](C)(CC)CC
InChI
InChI=1S/C14H30NO2/c1-7-10-14(4,5)13(16)17-12-11-15(6,8-2)9-3/h7-12H2,1-6H3/q+1
InChIKey
SFKMUMFSTODNFB-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylpentanoyloxy)ethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.22766 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.23494 160.1
[M+Na]+ 267.21688 164.8
[M-H]- 243.22038 161.5
[M+NH4]+ 262.26148 178.6
[M+K]+ 283.19082 159.3
[M+H-H2O]+ 227.22492 158.1
[M+HCOO]- 289.22586 180.2
[M+CH3COO]- 303.24151 195.9
[M+Na-2H]- 265.20233 167.0
[M]+ 244.22711 164.3
[M]- 244.22821 164.3
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.