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 168.3
[M+Na]+ 295.18798 171.9
[M-H]- 271.19148 164.9
[M+NH4]+ 290.23258 183.3
[M+K]+ 311.16192 170.2
[M+H-H2O]+ 255.19602 163.9
[M+HCOO]- 317.19696 182.5
[M+CH3COO]- 331.21261 197.6
[M+Na-2H]- 293.17343 169.3
[M]+ 272.19821 171.4
[M]- 272.19931 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