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 220.4
[M+Na]+ 547.27248 219.2
[M-H]- 523.27598 217.0
[M+NH4]+ 542.31708 222.5
[M+K]+ 563.24642 219.5
[M+H-H2O]+ 507.28052 214.9
[M+HCOO]- 569.28146 223.3
[M+CH3COO]- 583.29711 234.3
[M+Na-2H]- 545.25793 214.1
[M]+ 524.28271 224.7
[M]- 524.28381 224.7
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.