CID 171120563

Mgts(14:0/0:0)

Structural Information

Molecular Formula
C24H48NO6
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COCCC(C(=O)O)[N+](C)(C)C)O
InChI
InChI=1S/C24H47NO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-23(27)31-20-21(26)19-30-18-17-22(24(28)29)25(2,3)4/h21-22,26H,5-20H2,1-4H3/p+1/t21-,22?/m0/s1
InChIKey
YMICRIPDSIPBJQ-HMTLIYDFSA-O
Compound name
[1-carboxy-3-[(2S)-2-hydroxy-3-tetradecanoyloxypropoxy]propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.34818 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.35546 221.1
[M+Na]+ 469.33740 227.0
[M-H]- 445.34090 218.3
[M+NH4]+ 464.38200 225.3
[M+K]+ 485.31134 223.1
[M+H-H2O]+ 429.34544 215.9
[M+HCOO]- 491.34638 227.0
[M+CH3COO]- 505.36203 228.4
[M+Na-2H]- 467.32285 209.6
[M]+ 446.34763 219.1
[M]- 446.34873 219.1
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.