CID 539089

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=NC2C(C(C(OC2O1)COC(=O)C)OC(=O)C)OC(=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
InChIKey
WZFQZRLQMXZMJA-UHFFFAOYSA-N
Compound name
(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

353
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 171.4
[M+Na]+ 352.10027 178.7
[M+NH4]+ 347.14487 174.7
[M+K]+ 368.07421 180.2
[M-H]- 328.10377 170.8
[M+Na-2H]- 350.08572 168.6
[M]+ 329.11050 171.6
[M]- 329.11160 171.6
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

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