CID 10382451

Chebi:231924

Structural Information

Molecular Formula
C19H31NO4
SMILES
CCC/C=C/C=C/C=C(\C)/[C@H]1[C@@H]([C@H]([C@H](CO1)C)OC)OC(=O)CN
InChI
InChI=1S/C19H31NO4/c1-5-6-7-8-9-10-11-14(2)18-19(24-16(21)12-20)17(22-4)15(3)13-23-18/h7-11,15,17-19H,5-6,12-13,20H2,1-4H3/b8-7+,10-9+,14-11+/t15-,17-,18-,19+/m0/s1
InChIKey
FIFAQBUMNRZWOQ-WGFJUHIKSA-N
Compound name
[(2S,3R,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

337.2253 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.23258 186.0
[M+Na]+ 360.21452 192.7
[M+NH4]+ 355.25912 189.9
[M+K]+ 376.18846 187.7
[M-H]- 336.21802 186.4
[M+Na-2H]- 358.19997 184.5
[M]+ 337.22475 186.4
[M]- 337.22585 186.4
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.