CID 102839

2-decylbutanedioic acid

Structural Information

Molecular Formula
C14H26O4
SMILES
CCCCCCCCCCC(CC(=O)O)C(=O)O
InChI
InChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(15)16/h12H,2-11H2,1H3,(H,15,16)(H,17,18)
InChIKey
WSFYPFLCEFLXOZ-UHFFFAOYSA-N
Compound name
2-decylbutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

890
Patents

258.1831 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.19038 165.0
[M+Na]+ 281.17232 171.0
[M+NH4]+ 276.21692 169.0
[M+K]+ 297.14626 167.1
[M-H]- 257.17582 160.9
[M+Na-2H]- 279.15777 163.6
[M]+ 258.18255 164.1
[M]- 258.18365 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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