CID 51776

73231-81-9

Structural Information

Molecular Formula
C14H28NO4
SMILES
CCCCCC(=O)OC(C)C(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C14H28NO4/c1-6-7-8-9-13(16)19-12(2)14(17)18-11-10-15(3,4)5/h12H,6-11H2,1-5H3/q+1
InChIKey
HCUHZLWOYLXBGF-UHFFFAOYSA-N
Compound name
2-(2-hexanoyloxypropanoyloxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.20184 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.20912 166.1
[M+Na]+ 297.19106 170.0
[M-H]- 273.19456 167.2
[M+NH4]+ 292.23566 182.9
[M+K]+ 313.16500 165.4
[M+H-H2O]+ 257.19910 163.2
[M+HCOO]- 319.20004 186.4
[M+CH3COO]- 333.21569 199.0
[M+Na-2H]- 295.17651 169.7
[M]+ 274.20129 171.5
[M]- 274.20239 171.5
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.