CID 104471

53338-05-9

Structural Information

Molecular Formula
C11H20O2
SMILES
CC(C)CCC1(OCC=CCO1)C
InChI
InChI=1S/C11H20O2/c1-10(2)6-7-11(3)12-8-4-5-9-13-11/h4-5,10H,6-9H2,1-3H3
InChIKey
FFANAZFONFVGKZ-UHFFFAOYSA-N
Compound name
2-methyl-2-(3-methylbutyl)-4,7-dihydro-1,3-dioxepine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

142
Patents

184.14633 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 140.9
[M+Na]+ 207.13555 150.1
[M+NH4]+ 202.18015 149.6
[M+K]+ 223.10949 144.9
[M-H]- 183.13905 144.6
[M+Na-2H]- 205.12100 146.5
[M]+ 184.14578 143.4
[M]- 184.14688 143.4
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