CID 86289846

1355682-73-3

Structural Information

Molecular Formula
C16H30O7
SMILES
C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCC[C@H](CC(=O)O)O)O)O
InChI
InChI=1S/C16H30O7/c1-11-13(18)10-14(19)16(23-11)22-8-6-4-2-3-5-7-12(17)9-15(20)21/h11-14,16-19H,2-10H2,1H3,(H,20,21)/t11-,12+,13+,14+,16+/m0/s1
InChIKey
ICHNWKCNPXYDRV-UTHRFFRBSA-N
Compound name
(3R)-10-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxydecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

334.19916 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.20644 180.7
[M+Na]+ 357.18838 182.2
[M-H]- 333.19188 177.9
[M+NH4]+ 352.23298 190.2
[M+K]+ 373.16232 181.2
[M+H-H2O]+ 317.19642 174.2
[M+HCOO]- 379.19736 191.1
[M+CH3COO]- 393.21301 203.4
[M+Na-2H]- 355.17383 177.3
[M]+ 334.19861 181.5
[M]- 334.19971 181.5
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

patents stripe