CID 211035

2,2,9,9-tetramethyldecanedioic acid

Structural Information

Molecular Formula
C14H26O4
SMILES
CC(C)(CCCCCCC(C)(C)C(=O)O)C(=O)O
InChI
InChI=1S/C14H26O4/c1-13(2,11(15)16)9-7-5-6-8-10-14(3,4)12(17)18/h5-10H2,1-4H3,(H,15,16)(H,17,18)
InChIKey
LYDQREUUWSXQDS-UHFFFAOYSA-N
Compound name
2,2,9,9-tetramethyldecanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

258.1831 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.19038 163.7
[M+Na]+ 281.17232 167.7
[M-H]- 257.17582 160.5
[M+NH4]+ 276.21692 179.3
[M+K]+ 297.14626 166.3
[M+H-H2O]+ 241.18036 159.5
[M+HCOO]- 303.18130 178.2
[M+CH3COO]- 317.19695 194.6
[M+Na-2H]- 279.15777 165.2
[M]+ 258.18255 166.4
[M]- 258.18365 166.4
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

patents stripe