CID 3044449

57272-20-5

Structural Information

Molecular Formula
C16H30O4
SMILES
CC(C)CCCC(C)CCCC(C)C(C(=O)O)C(=O)O
InChI
InChI=1S/C16H30O4/c1-11(2)7-5-8-12(3)9-6-10-13(4)14(15(17)18)16(19)20/h11-14H,5-10H2,1-4H3,(H,17,18)(H,19,20)
InChIKey
SRCUVTMVAAOJQF-UHFFFAOYSA-N
Compound name
2-(6,10-dimethylundecan-2-yl)propanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.21442 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.22170 172.9
[M+Na]+ 309.20364 177.5
[M+NH4]+ 304.24824 176.3
[M+K]+ 325.17758 175.8
[M-H]- 285.20714 168.2
[M+Na-2H]- 307.18909 170.1
[M]+ 286.21387 171.6
[M]- 286.21497 171.6
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.