CID 20389

Decylmalonic acid

Structural Information

Molecular Formula
C13H24O4
SMILES
CCCCCCCCCCC(C(=O)O)C(=O)O
InChI
InChI=1S/C13H24O4/c1-2-3-4-5-6-7-8-9-10-11(12(14)15)13(16)17/h11H,2-10H2,1H3,(H,14,15)(H,16,17)
InChIKey
HCUZVMHXDRSBKX-UHFFFAOYSA-N
Compound name
2-decylpropanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6322
Patents

244.16747 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.17475 160.7
[M+Na]+ 267.15669 166.8
[M+NH4]+ 262.20129 164.9
[M+K]+ 283.13063 163.3
[M-H]- 243.16019 156.6
[M+Na-2H]- 265.14214 159.5
[M]+ 244.16692 159.8
[M]- 244.16802 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe