CID 73555826

Cellulose, 2-hydroxyethyl 2-hydroxypropyl ether

Structural Information

Molecular Formula
C17H32O13
SMILES
CC(COC1C(C(C(OC1OC2C(OC(C(C2O)OCCO)O)CO)CO)O)O)O
InChI
InChI=1S/C17H32O13/c1-7(21)6-27-15-11(23)10(22)8(4-19)29-17(15)30-13-9(5-20)28-16(25)14(12(13)24)26-3-2-18/h7-25H,2-6H2,1H3
InChIKey
RFRMMZAKBNXNHE-UHFFFAOYSA-N
Compound name
6-[4,6-dihydroxy-5-(2-hydroxyethoxy)-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-(2-hydroxypropoxy)oxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3948
Patents

444.1843 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.19158 197.6
[M+Na]+ 467.17352 197.6
[M-H]- 443.17702 193.9
[M+NH4]+ 462.21812 198.4
[M+K]+ 483.14746 200.0
[M+H-H2O]+ 427.18156 189.9
[M+HCOO]- 489.18250 199.2
[M+CH3COO]- 503.19815 219.9
[M+Na-2H]- 465.15897 192.3
[M]+ 444.18375 198.1
[M]- 444.18485 198.1
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

patents stripe