CID 88217254

2-(2-methoxyethyl)hexanedioic acid

Structural Information

Molecular Formula
C9H16O5
SMILES
COCCC(CCCC(=O)O)C(=O)O
InChI
InChI=1S/C9H16O5/c1-14-6-5-7(9(12)13)3-2-4-8(10)11/h7H,2-6H2,1H3,(H,10,11)(H,12,13)
InChIKey
KCZSTYXICCQKRA-UHFFFAOYSA-N
Compound name
2-(2-methoxyethyl)hexanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

204.09978 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10706 146.0
[M+Na]+ 227.08900 150.8
[M-H]- 203.09250 142.9
[M+NH4]+ 222.13360 163.2
[M+K]+ 243.06294 150.6
[M+H-H2O]+ 187.09704 140.8
[M+HCOO]- 249.09798 164.3
[M+CH3COO]- 263.11363 181.8
[M+Na-2H]- 225.07445 146.7
[M]+ 204.09923 148.4
[M]- 204.10033 148.4
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.