CID 160090

Mega-9

Structural Information

Molecular Formula
C16H33NO6
SMILES
CCCCCCCCC(=O)N(C)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C16H33NO6/c1-3-4-5-6-7-8-9-14(21)17(2)10-12(19)15(22)16(23)13(20)11-18/h12-13,15-16,18-20,22-23H,3-11H2,1-2H3/t12-,13+,15+,16+/m0/s1
InChIKey
GCRLIVCNZWDCDE-SJXGUFTOSA-N
Compound name
N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

4474
Patents

335.23077 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.23805 183.5
[M+Na]+ 358.21999 184.6
[M+NH4]+ 353.26459 202.5
[M+K]+ 374.19393 185.1
[M-H]- 334.22349 177.0
[M+Na-2H]- 356.20544 178.3
[M]+ 335.23022 180.7
[M]- 335.23132 180.7
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

patents stripe