CID 118798478

10378-06-0

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	330.118326	170.1
[M+Na]+	352.100268	176.7
[M-H]-	328.103774	174.4
[M+NH4]+	347.144873	183.0
[M+K]+	368.074208	179.6
[M+H-H2O]+	312.108310	164.4
[M+HCOO]-	374.109251	185.2
[M+CH3COO]-	388.124901	208.4
[M+Na-2H]-	350.085716	170.0
[M]+	329.11050142	177.9
[M]-	329.11159858	177.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.