CID 171120565

Mgts(16:0/0:0)

Structural Information

Molecular Formula
C26H52NO6
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COCCC(C(=O)O)[N+](C)(C)C)O
InChI
InChI=1S/C26H51NO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)33-22-23(28)21-32-20-19-24(26(30)31)27(2,3)4/h23-24,28H,5-22H2,1-4H3/p+1/t23-,24?/m0/s1
InChIKey
OLQBJTALXNGBNR-UXMRNZNESA-O
Compound name
[1-carboxy-3-[(2S)-3-hexadecanoyloxy-2-hydroxypropoxy]propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.37946 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.38674 228.4
[M+Na]+ 497.36868 233.9
[M-H]- 473.37218 224.8
[M+NH4]+ 492.41328 232.5
[M+K]+ 513.34262 230.8
[M+H-H2O]+ 457.37672 222.9
[M+HCOO]- 519.37766 233.4
[M+CH3COO]- 533.39331 234.2
[M+Na-2H]- 495.35413 215.9
[M]+ 474.37891 226.2
[M]- 474.38001 226.2
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.