CID 3069699

2,11-dibutyl-2,11-dimethyldodecanedioic acid

Structural Information

Molecular Formula
C22H42O4
SMILES
CCCCC(C)(CCCCCCCCC(C)(CCCC)C(=O)O)C(=O)O
InChI
InChI=1S/C22H42O4/c1-5-7-15-21(3,19(23)24)17-13-11-9-10-12-14-18-22(4,20(25)26)16-8-6-2/h5-18H2,1-4H3,(H,23,24)(H,25,26)
InChIKey
CSCOLALJGMTRIS-UHFFFAOYSA-N
Compound name
2,11-dibutyl-2,11-dimethyldodecanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.30832 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.31560 197.3
[M+Na]+ 393.29754 201.4
[M+NH4]+ 388.34214 197.2
[M+K]+ 409.27148 193.6
[M-H]- 369.30104 191.9
[M+Na-2H]- 391.28299 194.4
[M]+ 370.30777 195.9
[M]- 370.30887 195.9
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.