CID 50986251

3,5,7,9,11,13,15,17,19-nonaoxoicosanoate

Structural Information

Molecular Formula
C20H22O11
SMILES
CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)O
InChI
InChI=1S/C20H22O11/c1-11(21)2-12(22)3-13(23)4-14(24)5-15(25)6-16(26)7-17(27)8-18(28)9-19(29)10-20(30)31/h2-10H2,1H3,(H,30,31)
InChIKey
IIQCJOQENFQELS-UHFFFAOYSA-N
Compound name
3,5,7,9,11,13,15,17,19-nonaoxoicosanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

438.1162 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.12348 202.8
[M+Na]+ 461.10542 205.8
[M+NH4]+ 456.15002 212.5
[M+K]+ 477.07936 206.2
[M-H]- 437.10892 209.8
[M+Na-2H]- 459.09087 212.3
[M]+ 438.11565 206.0
[M]- 438.11675 206.0
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.