CID 137698384

Cellulose, microcrystalline

Structural Information

Molecular Formula
C14H26O11
SMILES
CO[C@@H]1[C@H](O[C@H]([C@@H](C1O)O)O[C@@H]2[C@H](O[C@H]([C@@H](C2O)O)OC)CO)CO
InChI
InChI=1S/C14H26O11/c1-21-11-5(3-15)24-14(10(20)7(11)17)25-12-6(4-16)23-13(22-2)9(19)8(12)18/h5-20H,3-4H2,1-2H3/t5-,6-,7?,8?,9-,10-,11-,12-,13-,14+/m1/s1
InChIKey
PTHCMJGKKRQCBF-PLWZRTDXSA-N
Compound name
(2S,3R,5S,6R)-2-[(2R,3S,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1481
References

65110
Patents

370.14752 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15480 181.2
[M+Na]+ 393.13674 184.6
[M-H]- 369.14024 181.0
[M+NH4]+ 388.18134 187.0
[M+K]+ 409.11068 186.4
[M+H-H2O]+ 353.14478 174.4
[M+HCOO]- 415.14572 187.6
[M+CH3COO]- 429.16137 207.9
[M+Na-2H]- 391.12219 178.7
[M]+ 370.14697 181.9
[M]- 370.14807 181.9
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.