CID 3006777

Chembl1179339

Structural Information

Molecular Formula
C20H40NO4
SMILES
CCCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CC(C)C
InChI
InChI=1S/C20H40NO4/c1-7-8-9-10-11-12-13-24-19(22)15-18(16-21(4,5)6)25-20(23)14-17(2)3/h17-18H,7-16H2,1-6H3/q+1/t18-/m1/s1
InChIKey
YANFCSHVDLFAIY-GOSISDBHSA-N
Compound name
trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-octoxy-4-oxobutyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.29575 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.30303 194.0
[M+Na]+ 381.28497 215.1
[M-H]- 357.28847 203.6
[M+NH4]+ 376.32957 212.8
[M+K]+ 397.25891 189.6
[M+H-H2O]+ 341.29301 190.1
[M+HCOO]- 403.29395 216.3
[M+CH3COO]- 417.30960 217.5
[M+Na-2H]- 379.27042 193.3
[M]+ 358.29520 206.5
[M]- 358.29630 206.5
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

No patent data available for this compound.