CID 175155

2-octanol, 2-methyl-6-methylene-, formate

Structural Information

Molecular Formula
C11H20O2
SMILES
CCC(=C)CCCC(C)(C)OC=O
InChI
InChI=1S/C11H20O2/c1-5-10(2)7-6-8-11(3,4)13-9-12/h9H,2,5-8H2,1,3-4H3
InChIKey
RUTJCZQSBRUHJG-UHFFFAOYSA-N
Compound name
(2-methyl-6-methylideneoctan-2-yl) formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.14633 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 144.9
[M+Na]+ 207.13555 154.0
[M+NH4]+ 202.18015 151.5
[M+K]+ 223.10949 148.8
[M-H]- 183.13905 143.0
[M+Na-2H]- 205.12100 147.2
[M]+ 184.14578 145.5
[M]- 184.14688 145.5
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.