CID 122706367

4-laurylsucrose

Structural Information

Molecular Formula
C24H44O12
SMILES
CCCCCCCCCCCC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)CO
InChI
InChI=1S/C24H44O12/c1-2-3-4-5-6-7-8-9-10-11-17(28)34-21-16(13-26)33-23(20(31)19(21)30)36-24(14-27)22(32)18(29)15(12-25)35-24/h15-16,18-23,25-27,29-32H,2-14H2,1H3/t15-,16-,18-,19-,20-,21-,22+,23-,24+/m1/s1
InChIKey
YFTHUKVJRMGIEW-LFXIRSKSSA-N
Compound name
[(2R,3S,4R,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

524.28326 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.29054 222.3
[M+Na]+ 547.27248 222.5
[M+NH4]+ 542.31708 221.7
[M+K]+ 563.24642 224.0
[M-H]- 523.27598 218.7
[M+Na-2H]- 545.25793 214.9
[M]+ 524.28271 220.3
[M]- 524.28381 220.3
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.