CID 3069698

2,11-dimethyl-2,11-dipropyldodecanedioic acid

Structural Information

Molecular Formula
C20H38O4
SMILES
CCCC(C)(CCCCCCCCC(C)(CCC)C(=O)O)C(=O)O
InChI
InChI=1S/C20H38O4/c1-5-13-19(3,17(21)22)15-11-9-7-8-10-12-16-20(4,14-6-2)18(23)24/h5-16H2,1-4H3,(H,21,22)(H,23,24)
InChIKey
UKRBMOSWTCWOQL-UHFFFAOYSA-N
Compound name
2,11-dimethyl-2,11-dipropyldodecanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.277 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.28428 188.9
[M+Na]+ 365.26622 193.3
[M+NH4]+ 360.31082 190.2
[M+K]+ 381.24016 190.0
[M-H]- 341.26972 183.5
[M+Na-2H]- 363.25167 186.4
[M]+ 342.27645 187.5
[M]- 342.27755 187.5
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.