CID 211036

2,2,10,10-tetramethylundecanedioic acid

Structural Information

Molecular Formula
C15H28O4
SMILES
CC(C)(CCCCCCCC(C)(C)C(=O)O)C(=O)O
InChI
InChI=1S/C15H28O4/c1-14(2,12(16)17)10-8-6-5-7-9-11-15(3,4)13(18)19/h5-11H2,1-4H3,(H,16,17)(H,18,19)
InChIKey
KRGYRBZSOJWBAW-UHFFFAOYSA-N
Compound name
2,2,10,10-tetramethylundecanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

272.19876 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.206036 168.3
[M+Na]+ 295.187978 171.9
[M-H]- 271.191484 164.9
[M+NH4]+ 290.232583 183.3
[M+K]+ 311.161918 170.2
[M+H-H2O]+ 255.196020 163.9
[M+HCOO]- 317.196961 182.5
[M+CH3COO]- 331.212611 197.6
[M+Na-2H]- 293.173426 169.3
[M]+ 272.19821142 171.4
[M]- 272.19930858 171.4
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