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
3
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]+ 229.21620 162.0
[M+Na]+ 251.19814 165.0
[M-H]- 227.20164 159.8
[M+NH4]+ 246.24274 179.4
[M+K]+ 267.17208 164.0
[M+H-H2O]+ 211.20618 156.6
[M+HCOO]- 273.20712 178.4
[M+CH3COO]- 287.22277 195.1
[M+Na-2H]- 249.18359 159.3
[M]+ 228.20837 164.0
[M]- 228.20947 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.