CID 14055602

Cellulose gel

Structural Information

Molecular Formula
C14H26O11
SMILES
COC1C(OC(C(C1O)O)OC2C(OC(C(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
InChIKey
PTHCMJGKKRQCBF-UHFFFAOYSA-N
Compound name
2-[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

65093
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

literature stripe

Patent stripe

patents stripe