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 175.2
[M+Na]+ 309.20364 176.7
[M-H]- 285.20714 171.2
[M+NH4]+ 304.24824 189.1
[M+K]+ 325.17758 175.8
[M+H-H2O]+ 269.21168 169.6
[M+HCOO]- 331.21262 188.1
[M+CH3COO]- 345.22827 203.5
[M+Na-2H]- 307.18909 168.5
[M]+ 286.21387 177.0
[M]- 286.21497 177.0
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.