CID 211037

2,2,11,11-tetramethyldodecanedioic acid

Structural Information

Molecular Formula
C16H30O4
SMILES
CC(C)(CCCCCCCCC(C)(C)C(=O)O)C(=O)O
InChI
InChI=1S/C16H30O4/c1-15(2,13(17)18)11-9-7-5-6-8-10-12-16(3,4)14(19)20/h5-12H2,1-4H3,(H,17,18)(H,19,20)
InChIKey
VCMDOMMBIUFPNG-UHFFFAOYSA-N
Compound name
2,2,11,11-tetramethyldodecanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.21442 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.22170 171.8
[M+Na]+ 309.20364 177.1
[M+NH4]+ 304.24824 175.3
[M+K]+ 325.17758 174.7
[M-H]- 285.20714 166.7
[M+Na-2H]- 307.18909 170.4
[M]+ 286.21387 170.7
[M]- 286.21497 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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