CID 118798478

(3ar,7ar)-5-(acetoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]oxazole-6,7-diyl diacetate

Structural Information

Molecular Formula
C14H19NO8
SMILES
CC1=N[C@H]2[C@@H](O1)OC(C(C2OC(=O)C)OC(=O)C)COC(=O)C
InChI
InChI=1S/C14H19NO8/c1-6-15-11-13(22-9(4)18)12(21-8(3)17)10(5-19-7(2)16)23-14(11)20-6/h10-14H,5H2,1-4H3/t10?,11-,12?,13?,14+/m1/s1
InChIKey
WZFQZRLQMXZMJA-IAPOMNSZSA-N
Compound name
[(3aR,7aR)-6,7-diacetyloxy-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11105 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11833 170.1
[M+Na]+ 352.10027 176.7
[M-H]- 328.10377 174.4
[M+NH4]+ 347.14487 183.0
[M+K]+ 368.07421 179.6
[M+H-H2O]+ 312.10831 164.4
[M+HCOO]- 374.10925 185.2
[M+CH3COO]- 388.12490 208.4
[M+Na-2H]- 350.08572 170.0
[M]+ 329.11050 177.9
[M]- 329.11160 177.9
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.