CID 55250610

Tert-potassium decanoate

Structural Information

Molecular Formula
C10H20O2
SMILES
CCC(C)(C)CCCCC(=O)O
InChI
InChI=1S/C10H20O2/c1-4-10(2,3)8-6-5-7-9(11)12/h4-8H2,1-3H3,(H,11,12)
InChIKey
VMPJFDFDOTZPIW-UHFFFAOYSA-N
Compound name
6,6-dimethyloctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

172.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 141.8
[M+Na]+ 195.13555 150.5
[M+NH4]+ 190.18015 148.5
[M+K]+ 211.10949 145.9
[M-H]- 171.13905 139.7
[M+Na-2H]- 193.12100 143.8
[M]+ 172.14578 142.2
[M]- 172.14688 142.2
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

patents stripe