CID 160091

P3tdb90kln

Structural Information

Molecular Formula
C15H31NO6
SMILES
CCCCCCCC(=O)N(C)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C15H31NO6/c1-3-4-5-6-7-8-13(20)16(2)9-11(18)14(21)15(22)12(19)10-17/h11-12,14-15,17-19,21-22H,3-10H2,1-2H3/t11-,12+,14+,15+/m0/s1
InChIKey
SBWGZAXBCCNRTM-CTHBEMJXSA-N
Compound name
N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7405
Patents

321.21515 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.22243 182.1
[M+Na]+ 344.20437 181.6
[M-H]- 320.20787 175.2
[M+NH4]+ 339.24897 192.6
[M+K]+ 360.17831 181.6
[M+H-H2O]+ 304.21241 175.7
[M+HCOO]- 366.21335 193.6
[M+CH3COO]- 380.22900 205.6
[M+Na-2H]- 342.18982 175.3
[M]+ 321.21460 182.2
[M]- 321.21570 182.2
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