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]+ 287.221696 175.2
[M+Na]+ 309.203638 176.7
[M-H]- 285.207144 171.2
[M+NH4]+ 304.248243 189.1
[M+K]+ 325.177578 175.8
[M+H-H2O]+ 269.211680 169.6
[M+HCOO]- 331.212621 188.1
[M+CH3COO]- 345.228271 203.5
[M+Na-2H]- 307.189086 168.5
[M]+ 286.21387142 177.0
[M]- 286.21496858 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.