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

12
Patents

230.11542 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.122696 153.5
[M+Na]+ 253.104638 157.8
[M-H]- 229.108144 150.2
[M+NH4]+ 248.149243 169.7
[M+K]+ 269.078578 156.5
[M+H-H2O]+ 213.112680 148.1
[M+HCOO]- 275.113621 171.4
[M+CH3COO]- 289.129271 187.0
[M+Na-2H]- 251.090086 153.3
[M]+ 230.11487142 156.1
[M]- 230.11596858 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