CID 139600838

Cellulose acetate

Structural Information

Molecular Formula
C10H16O8
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC(=O)C)O)O
InChI
InChI=1S/C10H16O8/c1-4(11)16-3-6-7(13)8(14)9(10(15)18-6)17-5(2)12/h6-10,13-15H,3H2,1-2H3/t6-,7-,8+,9-,10-/m1/s1
InChIKey
SMEGJBVQLJJKKX-HOTMZDKISA-N
Compound name
[(2R,3S,4S,5R,6R)-5-acetyloxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1259
References

40065
Patents

264.0845 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09178 153.2
[M+Na]+ 287.07372 158.9
[M-H]- 263.07722 153.4
[M+NH4]+ 282.11832 166.6
[M+K]+ 303.04766 160.2
[M+H-H2O]+ 247.08176 147.8
[M+HCOO]- 309.08270 167.6
[M+CH3COO]- 323.09835 189.5
[M+Na-2H]- 285.05917 153.0
[M]+ 264.08395 154.7
[M]- 264.08505 154.7
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