CID 24847855

Ethene,homopolymer,oxidized

Structural Information

Molecular Formula
C12H20O5
SMILES
CC(C(CCCCC=O)O)C(=O)CCC(=O)O
InChI
InChI=1S/C12H20O5/c1-9(11(15)6-7-12(16)17)10(14)5-3-2-4-8-13/h8-10,14H,2-7H2,1H3,(H,16,17)
InChIKey
AZUZXOSWBOBCJY-UHFFFAOYSA-N
Compound name
6-hydroxy-5-methyl-4,11-dioxoundecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1870
Patents

244.13107 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.138346 158.1
[M+Na]+ 267.120288 161.8
[M-H]- 243.123794 154.7
[M+NH4]+ 262.164893 173.7
[M+K]+ 283.094228 160.8
[M+H-H2O]+ 227.128330 152.7
[M+HCOO]- 289.129271 174.8
[M+CH3COO]- 303.144921 190.9
[M+Na-2H]- 265.105736 156.1
[M]+ 244.13052142 160.4
[M]- 244.13161858 160.4
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