CID 131674688

Cellulose, carboxymethyl ether, sodium salt

Structural Information

Molecular Formula
C16H28O7
SMILES
CC1CCC(OC1COCC2CCCC(O2)CCC(=O)OO)O
InChI
InChI=1S/C16H28O7/c1-11-5-7-15(17)22-14(11)10-20-9-13-4-2-3-12(21-13)6-8-16(18)23-19/h11-15,17,19H,2-10H2,1H3
InChIKey
VHOCHYNFQXBVGU-UHFFFAOYSA-N
Compound name
3-[6-[(6-hydroxy-3-methyloxan-2-yl)methoxymethyl]oxan-2-yl]propaneperoxoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

332.1835 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19078 178.7
[M+Na]+ 355.17272 179.8
[M-H]- 331.17622 182.0
[M+NH4]+ 350.21732 187.9
[M+K]+ 371.14666 180.9
[M+H-H2O]+ 315.18076 171.1
[M+HCOO]- 377.18170 189.4
[M+CH3COO]- 391.19735 203.9
[M+Na-2H]- 353.15817 178.0
[M]+ 332.18295 177.6
[M]- 332.18405 177.6
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.