CID 2734733

L-arabino-hex-1-enitol, 1,5-anhydro-2,6-dideoxy-, diacetate

Structural Information

Molecular Formula
C10H14O5
SMILES
C[C@H]1[C@@H]([C@H](C=CO1)OC(=O)C)OC(=O)C
InChI
InChI=1S/C10H14O5/c1-6-10(15-8(3)12)9(4-5-13-6)14-7(2)11/h4-6,9-10H,1-3H3/t6-,9-,10-/m0/s1
InChIKey
NDEGMKQAZZBNBB-JUWDTYFHSA-N
Compound name
[(2S,3S,4S)-3-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

168
Patents

214.08412 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.091396 143.5
[M+Na]+ 237.073338 150.4
[M-H]- 213.076844 147.8
[M+NH4]+ 232.117943 161.0
[M+K]+ 253.047278 152.1
[M+H-H2O]+ 197.081380 137.8
[M+HCOO]- 259.082321 163.5
[M+CH3COO]- 273.097971 186.4
[M+Na-2H]- 235.058786 146.7
[M]+ 214.08357142 146.8
[M]- 214.08466858 146.8
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