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

38
Patents

258.1831 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.190376 163.7
[M+Na]+ 281.172318 167.7
[M-H]- 257.175824 160.5
[M+NH4]+ 276.216923 179.3
[M+K]+ 297.146258 166.3
[M+H-H2O]+ 241.180360 159.5
[M+HCOO]- 303.181301 178.2
[M+CH3COO]- 317.196951 194.6
[M+Na-2H]- 279.157766 165.2
[M]+ 258.18255142 166.4
[M]- 258.18364858 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