CID 14393361

D-glucopyranoside, ethyl, 6-decanoate

Structural Information

Molecular Formula
C18H34O7
SMILES
CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OCC)O)O)O
InChI
InChI=1S/C18H34O7/c1-3-5-6-7-8-9-10-11-14(19)24-12-13-15(20)16(21)17(22)18(25-13)23-4-2/h13,15-18,20-22H,3-12H2,1-2H3/t13-,15-,16+,17-,18?/m1/s1
InChIKey
YJXZPEYFSHVFTO-SRKZOOFXSA-N
Compound name
[(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

362.23044 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.23772 188.8
[M+Na]+ 385.21966 191.1
[M-H]- 361.22316 187.3
[M+NH4]+ 380.26426 198.3
[M+K]+ 401.19360 190.0
[M+H-H2O]+ 345.22770 181.9
[M+HCOO]- 407.22864 201.0
[M+CH3COO]- 421.24429 211.2
[M+Na-2H]- 383.20511 185.5
[M]+ 362.22989 193.1
[M]- 362.23099 193.1
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

patents stripe