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

0
Patents

272.19876 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.20604 167.6
[M+Na]+ 295.18798 173.1
[M+NH4]+ 290.23258 171.2
[M+K]+ 311.16192 170.8
[M-H]- 271.19148 162.4
[M+Na-2H]- 293.17343 166.3
[M]+ 272.19821 166.5
[M]- 272.19931 166.5
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

No patent data available for this compound.