CID 505907

N-[(2r,3r,4s)-4-hydroxy-6-isopropenyl-2-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4-dihydro-2h-pyran-3-yl]acetamide

Structural Information

Molecular Formula
C13H21NO6
SMILES
CC(=C)C1=C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O
InChI
InChI=1S/C13H21NO6/c1-6(2)10-4-8(17)11(14-7(3)16)13(20-10)12(19)9(18)5-15/h4,8-9,11-13,15,17-19H,1,5H2,2-3H3,(H,14,16)/t8-,9+,11+,12+,13+/m0/s1
InChIKey
LNPXOJIAFVNGOD-IINAIABHSA-N
Compound name
N-[(2R,3R,4S)-4-hydroxy-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1369 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14418 167.2
[M+Na]+ 310.12612 170.2
[M-H]- 286.12962 165.6
[M+NH4]+ 305.17072 178.3
[M+K]+ 326.10006 169.7
[M+H-H2O]+ 270.13416 161.3
[M+HCOO]- 332.13510 179.2
[M+CH3COO]- 346.15075 198.1
[M+Na-2H]- 308.11157 163.8
[M]+ 287.13635 164.0
[M]- 287.13745 164.0
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

No patent data available for this compound.