CID 3047764

2,6,10-trimethylundecanoic acid

Structural Information

Molecular Formula
C14H28O2
SMILES
CC(C)CCCC(C)CCCC(C)C(=O)O
InChI
InChI=1S/C14H28O2/c1-11(2)7-5-8-12(3)9-6-10-13(4)14(15)16/h11-13H,5-10H2,1-4H3,(H,15,16)
InChIKey
QFIWFUDXERFOIY-UHFFFAOYSA-N
Compound name
2,6,10-trimethylundecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

228.20892 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.216196 162.0
[M+Na]+ 251.198138 165.0
[M-H]- 227.201644 159.8
[M+NH4]+ 246.242743 179.4
[M+K]+ 267.172078 164.0
[M+H-H2O]+ 211.206180 156.6
[M+HCOO]- 273.207121 178.4
[M+CH3COO]- 287.222771 195.1
[M+Na-2H]- 249.183586 159.3
[M]+ 228.20837142 164.0
[M]- 228.20946858 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe