CID 3513414

4-oxo-1,9-nonanedicarboxylic acid

Structural Information

Molecular Formula
C11H18O5
SMILES
C(CCC(=O)CCCC(=O)O)CCC(=O)O
InChI
InChI=1S/C11H18O5/c12-9(6-4-8-11(15)16)5-2-1-3-7-10(13)14/h1-8H2,(H,13,14)(H,15,16)
InChIKey
MEEMMABYFKSQGY-UHFFFAOYSA-N
Compound name
5-oxoundecanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

230.11542 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12270 153.5
[M+Na]+ 253.10464 157.8
[M-H]- 229.10814 150.2
[M+NH4]+ 248.14924 169.7
[M+K]+ 269.07858 156.5
[M+H-H2O]+ 213.11268 148.1
[M+HCOO]- 275.11362 171.4
[M+CH3COO]- 289.12927 187.0
[M+Na-2H]- 251.09009 153.3
[M]+ 230.11487 156.1
[M]- 230.11597 156.1
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